USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 835 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : X 1 MET CE :methyl -153:sc= -0.223 (180deg=-2.23) USER MOD Single : X 1 MET N :NH3+ -146:sc= -0.116 (180deg=-0.878) USER MOD Single : X 3 GLN : amide:sc= -0.317 X(o=-0.32,f=-0.2) USER MOD Single : X 6 SER OG : rot 180:sc= 0.144 USER MOD Single : X 7 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : X 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc=-0.00561 K(o=-0.0056,f=-1.5!) USER MOD Single : X 16 LYS NZ :NH3+ -172:sc= 0.357! (180deg=0.229!) USER MOD Single : X 17 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 21 THR OG1 : rot -18:sc= 0.415 USER MOD Single : X 25 LYS NZ :NH3+ -149:sc= -0.812 (180deg=-2.5!) USER MOD Single : X 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 28 TYR OH : rot 180:sc= 0 USER MOD Single : X 33 LYS NZ :NH3+ -111:sc= -2.38! (180deg=-5.3!) USER MOD Single : X 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 41 THR OG1 : rot 92:sc= 1.02 USER MOD Single : X 42 CYS SG : rot 180:sc= 0 USER MOD Single : X 47 GLN : amide:sc= -1.82 X(o=-1.8,f=-1.4!) USER MOD Single : X 50 THR OG1 : rot 180:sc= 0 USER MOD Single : X 54 LYS NZ :NH3+ 151:sc= 0.664 (180deg=0.341) USER MOD Single : X 62 CYS SG : rot 81:sc= 0.409 USER MOD Single : X 64 GLN : amide:sc= 0 X(o=0,f=-0.00073) USER MOD Single : X 66 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 68 ASN : amide:sc= -2.38 K(o=-2.4,f=-6.4!) USER MOD Single : X 69 THR OG1 : rot 52:sc= 0.857 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot 180:sc= 0 USER MOD Single : X 81 SER OG : rot 180:sc= 0 USER MOD Single : X 82 TYR OH : rot -155:sc= -0.747! USER MOD Single : X 84 ASN : amide:sc= -1.9! K(o=-1.9!,f=-0.16) USER MOD Single : X 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 LYS NZ :NH3+ -163:sc= -0.0286 (180deg=-0.322) USER MOD Single : X 96 ASN : amide:sc= -4.27! K(o=-4.3!,f=-0.072) USER MOD Single : X 98 GLN : amide:sc= 0 X(o=0,f=-0.4!) USER MOD Single : X 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 71.818 -5.583 0.774 1.00 1.00 N ATOM 2 CA MET X 1 71.442 -6.891 1.381 1.00 1.00 C ATOM 3 C MET X 1 70.826 -7.792 0.308 1.00 1.00 C ATOM 4 O MET X 1 71.199 -7.742 -0.847 1.00 1.00 O ATOM 5 CB MET X 1 70.425 -6.662 2.500 1.00 1.00 C ATOM 6 CG MET X 1 70.994 -5.666 3.510 1.00 1.00 C ATOM 7 SD MET X 1 72.480 -6.363 4.273 1.00 1.00 S ATOM 8 CE MET X 1 71.654 -7.648 5.244 1.00 1.00 C ATOM 0 H1 MET X 1 72.677 -5.221 1.235 1.00 1.00 H new ATOM 0 H2 MET X 1 71.998 -5.711 -0.242 1.00 1.00 H new ATOM 0 H3 MET X 1 71.042 -4.903 0.906 1.00 1.00 H new ATOM 0 HA MET X 1 72.331 -7.370 1.792 1.00 1.00 H new ATOM 0 HB2 MET X 1 69.491 -6.282 2.085 1.00 1.00 H new ATOM 0 HB3 MET X 1 70.194 -7.605 2.994 1.00 1.00 H new ATOM 0 HG2 MET X 1 71.234 -4.726 3.014 1.00 1.00 H new ATOM 0 HG3 MET X 1 70.250 -5.442 4.275 1.00 1.00 H new ATOM 0 HE1 MET X 1 72.254 -7.882 6.123 1.00 1.00 H new ATOM 0 HE2 MET X 1 70.673 -7.292 5.559 1.00 1.00 H new ATOM 0 HE3 MET X 1 71.536 -8.545 4.636 1.00 1.00 H new ATOM 20 N GLY X 2 69.885 -8.616 0.680 1.00 1.00 N ATOM 21 CA GLY X 2 69.241 -9.513 -0.321 1.00 1.00 C ATOM 22 C GLY X 2 70.189 -10.663 -0.664 1.00 1.00 C ATOM 23 O GLY X 2 70.021 -11.344 -1.656 1.00 1.00 O ATOM 0 H GLY X 2 69.534 -8.707 1.634 1.00 1.00 H new ATOM 0 HA2 GLY X 2 68.305 -9.906 0.077 1.00 1.00 H new ATOM 0 HA3 GLY X 2 68.994 -8.951 -1.222 1.00 1.00 H new ATOM 27 N GLN X 3 71.187 -10.884 0.148 1.00 1.00 N ATOM 28 CA GLN X 3 72.145 -11.990 -0.133 1.00 1.00 C ATOM 29 C GLN X 3 72.321 -12.845 1.124 1.00 1.00 C ATOM 30 O GLN X 3 72.018 -12.422 2.221 1.00 1.00 O ATOM 31 CB GLN X 3 73.497 -11.400 -0.543 1.00 1.00 C ATOM 32 CG GLN X 3 73.347 -10.646 -1.865 1.00 1.00 C ATOM 33 CD GLN X 3 73.035 -11.637 -2.988 1.00 1.00 C ATOM 34 OE1 GLN X 3 73.780 -12.570 -3.215 1.00 1.00 O ATOM 35 NE2 GLN X 3 71.956 -11.474 -3.704 1.00 1.00 N ATOM 0 H GLN X 3 71.380 -10.347 0.993 1.00 1.00 H new ATOM 0 HA GLN X 3 71.758 -12.610 -0.942 1.00 1.00 H new ATOM 0 HB2 GLN X 3 73.861 -10.726 0.232 1.00 1.00 H new ATOM 0 HB3 GLN X 3 74.236 -12.195 -0.648 1.00 1.00 H new ATOM 0 HG2 GLN X 3 72.549 -9.908 -1.786 1.00 1.00 H new ATOM 0 HG3 GLN X 3 74.264 -10.102 -2.091 1.00 1.00 H new ATOM 0 HE21 GLN X 3 71.331 -10.691 -3.513 1.00 1.00 H new ATOM 0 HE22 GLN X 3 71.738 -12.130 -4.454 1.00 1.00 H new ATOM 44 N GLU X 4 72.809 -14.047 0.972 1.00 1.00 N ATOM 45 CA GLU X 4 73.010 -14.924 2.160 1.00 1.00 C ATOM 46 C GLU X 4 73.977 -14.251 3.135 1.00 1.00 C ATOM 47 O GLU X 4 75.006 -13.734 2.748 1.00 1.00 O ATOM 48 CB GLU X 4 73.594 -16.264 1.709 1.00 1.00 C ATOM 49 CG GLU X 4 72.592 -16.978 0.798 1.00 1.00 C ATOM 50 CD GLU X 4 71.334 -17.327 1.597 1.00 1.00 C ATOM 51 OE1 GLU X 4 71.421 -17.366 2.813 1.00 1.00 O ATOM 52 OE2 GLU X 4 70.307 -17.548 0.978 1.00 1.00 O ATOM 0 H GLU X 4 73.077 -14.458 0.078 1.00 1.00 H new ATOM 0 HA GLU X 4 72.053 -15.090 2.655 1.00 1.00 H new ATOM 0 HB2 GLU X 4 74.533 -16.104 1.179 1.00 1.00 H new ATOM 0 HB3 GLU X 4 73.819 -16.885 2.576 1.00 1.00 H new ATOM 0 HG2 GLU X 4 72.334 -16.340 -0.047 1.00 1.00 H new ATOM 0 HG3 GLU X 4 73.038 -17.884 0.388 1.00 1.00 H new ATOM 59 N LEU X 5 73.654 -14.252 4.400 1.00 1.00 N ATOM 60 CA LEU X 5 74.550 -13.604 5.399 1.00 1.00 C ATOM 61 C LEU X 5 75.497 -14.650 5.991 1.00 1.00 C ATOM 62 O LEU X 5 75.134 -15.401 6.874 1.00 1.00 O ATOM 63 CB LEU X 5 73.708 -12.986 6.517 1.00 1.00 C ATOM 64 CG LEU X 5 72.997 -11.737 5.993 1.00 1.00 C ATOM 65 CD1 LEU X 5 71.983 -11.253 7.029 1.00 1.00 C ATOM 66 CD2 LEU X 5 74.029 -10.636 5.735 1.00 1.00 C ATOM 0 H LEU X 5 72.808 -14.674 4.784 1.00 1.00 H new ATOM 0 HA LEU X 5 75.132 -12.823 4.910 1.00 1.00 H new ATOM 0 HB2 LEU X 5 72.976 -13.709 6.877 1.00 1.00 H new ATOM 0 HB3 LEU X 5 74.343 -12.727 7.364 1.00 1.00 H new ATOM 0 HG LEU X 5 72.479 -11.976 5.064 1.00 1.00 H new ATOM 0 HD11 LEU X 5 71.477 -10.363 6.655 1.00 1.00 H new ATOM 0 HD12 LEU X 5 71.249 -12.037 7.214 1.00 1.00 H new ATOM 0 HD13 LEU X 5 72.499 -11.013 7.959 1.00 1.00 H new ATOM 0 HD21 LEU X 5 73.525 -9.745 5.361 1.00 1.00 H new ATOM 0 HD22 LEU X 5 74.547 -10.397 6.664 1.00 1.00 H new ATOM 0 HD23 LEU X 5 74.752 -10.981 4.995 1.00 1.00 H new ATOM 78 N SER X 6 76.711 -14.703 5.513 1.00 1.00 N ATOM 79 CA SER X 6 77.685 -15.691 6.057 1.00 1.00 C ATOM 80 C SER X 6 78.261 -15.170 7.376 1.00 1.00 C ATOM 81 O SER X 6 78.032 -14.041 7.761 1.00 1.00 O ATOM 82 CB SER X 6 78.819 -15.894 5.052 1.00 1.00 C ATOM 83 OG SER X 6 79.796 -14.877 5.236 1.00 1.00 O ATOM 0 H SER X 6 77.070 -14.104 4.769 1.00 1.00 H new ATOM 0 HA SER X 6 77.179 -16.640 6.232 1.00 1.00 H new ATOM 0 HB2 SER X 6 79.270 -16.877 5.188 1.00 1.00 H new ATOM 0 HB3 SER X 6 78.429 -15.861 4.035 1.00 1.00 H new ATOM 0 HG SER X 6 80.526 -15.005 4.594 1.00 1.00 H new ATOM 89 N GLN X 7 79.005 -15.984 8.072 1.00 1.00 N ATOM 90 CA GLN X 7 79.588 -15.537 9.368 1.00 1.00 C ATOM 91 C GLN X 7 80.401 -14.260 9.147 1.00 1.00 C ATOM 92 O GLN X 7 80.332 -13.327 9.921 1.00 1.00 O ATOM 93 CB GLN X 7 80.500 -16.633 9.926 1.00 1.00 C ATOM 94 CG GLN X 7 79.652 -17.821 10.384 1.00 1.00 C ATOM 95 CD GLN X 7 80.568 -18.940 10.885 1.00 1.00 C ATOM 96 OE1 GLN X 7 81.478 -18.698 11.653 1.00 1.00 O ATOM 97 NE2 GLN X 7 80.364 -20.163 10.480 1.00 1.00 N ATOM 0 H GLN X 7 79.235 -16.940 7.799 1.00 1.00 H new ATOM 0 HA GLN X 7 78.785 -15.339 10.078 1.00 1.00 H new ATOM 0 HB2 GLN X 7 81.210 -16.953 9.163 1.00 1.00 H new ATOM 0 HB3 GLN X 7 81.083 -16.245 10.762 1.00 1.00 H new ATOM 0 HG2 GLN X 7 78.972 -17.511 11.177 1.00 1.00 H new ATOM 0 HG3 GLN X 7 79.037 -18.182 9.559 1.00 1.00 H new ATOM 0 HE21 GLN X 7 79.600 -20.366 9.835 1.00 1.00 H new ATOM 0 HE22 GLN X 7 80.968 -20.916 10.808 1.00 1.00 H new ATOM 106 N HIS X 8 81.172 -14.212 8.095 1.00 1.00 N ATOM 107 CA HIS X 8 81.989 -12.995 7.823 1.00 1.00 C ATOM 108 C HIS X 8 81.064 -11.820 7.502 1.00 1.00 C ATOM 109 O HIS X 8 81.250 -10.721 7.986 1.00 1.00 O ATOM 110 CB HIS X 8 82.912 -13.257 6.632 1.00 1.00 C ATOM 111 CG HIS X 8 83.739 -12.031 6.360 1.00 1.00 C ATOM 112 ND1 HIS X 8 84.827 -11.681 7.150 1.00 1.00 N ATOM 113 CD2 HIS X 8 83.654 -11.061 5.390 1.00 1.00 C ATOM 114 CE1 HIS X 8 85.346 -10.546 6.646 1.00 1.00 C ATOM 115 NE2 HIS X 8 84.668 -10.130 5.576 1.00 1.00 N ATOM 0 H HIS X 8 81.272 -14.963 7.412 1.00 1.00 H new ATOM 0 HA HIS X 8 82.588 -12.756 8.702 1.00 1.00 H new ATOM 0 HB2 HIS X 8 83.561 -14.107 6.841 1.00 1.00 H new ATOM 0 HB3 HIS X 8 82.323 -13.514 5.752 1.00 1.00 H new ATOM 0 HD2 HIS X 8 82.913 -11.028 4.605 1.00 1.00 H new ATOM 0 HE1 HIS X 8 86.205 -10.036 7.057 1.00 1.00 H new ATOM 0 HE2 HIS X 8 84.855 -9.301 5.012 1.00 1.00 H new ATOM 123 N GLU X 9 80.068 -12.041 6.688 1.00 1.00 N ATOM 124 CA GLU X 9 79.137 -10.933 6.333 1.00 1.00 C ATOM 125 C GLU X 9 78.406 -10.459 7.592 1.00 1.00 C ATOM 126 O GLU X 9 78.092 -9.295 7.739 1.00 1.00 O ATOM 127 CB GLU X 9 78.118 -11.432 5.306 1.00 1.00 C ATOM 128 CG GLU X 9 78.832 -11.753 3.992 1.00 1.00 C ATOM 129 CD GLU X 9 77.813 -12.263 2.970 1.00 1.00 C ATOM 130 OE1 GLU X 9 76.628 -12.150 3.237 1.00 1.00 O ATOM 131 OE2 GLU X 9 78.236 -12.759 1.939 1.00 1.00 O ATOM 0 H GLU X 9 79.859 -12.940 6.254 1.00 1.00 H new ATOM 0 HA GLU X 9 79.703 -10.104 5.908 1.00 1.00 H new ATOM 0 HB2 GLU X 9 77.611 -12.320 5.683 1.00 1.00 H new ATOM 0 HB3 GLU X 9 77.352 -10.674 5.140 1.00 1.00 H new ATOM 0 HG2 GLU X 9 79.332 -10.863 3.610 1.00 1.00 H new ATOM 0 HG3 GLU X 9 79.603 -12.505 4.159 1.00 1.00 H new ATOM 138 N ARG X 10 78.135 -11.355 8.502 1.00 1.00 N ATOM 139 CA ARG X 10 77.429 -10.957 9.752 1.00 1.00 C ATOM 140 C ARG X 10 78.365 -10.120 10.626 1.00 1.00 C ATOM 141 O ARG X 10 77.956 -9.154 11.240 1.00 1.00 O ATOM 142 CB ARG X 10 77.007 -12.213 10.519 1.00 1.00 C ATOM 143 CG ARG X 10 75.843 -12.890 9.792 1.00 1.00 C ATOM 144 CD ARG X 10 75.476 -14.189 10.511 1.00 1.00 C ATOM 145 NE ARG X 10 74.348 -14.852 9.796 1.00 1.00 N ATOM 146 CZ ARG X 10 73.117 -14.509 10.060 1.00 1.00 C ATOM 147 NH1 ARG X 10 72.873 -13.585 10.948 1.00 1.00 N ATOM 148 NH2 ARG X 10 72.130 -15.090 9.435 1.00 1.00 N ATOM 0 H ARG X 10 78.372 -12.345 8.433 1.00 1.00 H new ATOM 0 HA ARG X 10 76.547 -10.369 9.498 1.00 1.00 H new ATOM 0 HB2 ARG X 10 77.848 -12.902 10.601 1.00 1.00 H new ATOM 0 HB3 ARG X 10 76.711 -11.949 11.534 1.00 1.00 H new ATOM 0 HG2 ARG X 10 74.982 -12.223 9.763 1.00 1.00 H new ATOM 0 HG3 ARG X 10 76.119 -13.100 8.759 1.00 1.00 H new ATOM 0 HD2 ARG X 10 76.339 -14.854 10.546 1.00 1.00 H new ATOM 0 HD3 ARG X 10 75.193 -13.979 11.542 1.00 1.00 H new ATOM 0 HE ARG X 10 74.539 -15.574 9.101 1.00 1.00 H new ATOM 0 HH11 ARG X 10 73.645 -13.130 11.436 1.00 1.00 H new ATOM 0 HH12 ARG X 10 71.911 -13.317 11.154 1.00 1.00 H new ATOM 0 HH21 ARG X 10 72.321 -15.812 8.740 1.00 1.00 H new ATOM 0 HH22 ARG X 10 71.168 -14.822 9.641 1.00 1.00 H new ATOM 162 N TYR X 11 79.617 -10.479 10.687 1.00 1.00 N ATOM 163 CA TYR X 11 80.571 -9.713 11.537 1.00 1.00 C ATOM 164 C TYR X 11 80.623 -8.261 11.059 1.00 1.00 C ATOM 165 O TYR X 11 80.515 -7.336 11.840 1.00 1.00 O ATOM 166 CB TYR X 11 81.964 -10.335 11.430 1.00 1.00 C ATOM 167 CG TYR X 11 82.946 -9.511 12.230 1.00 1.00 C ATOM 168 CD1 TYR X 11 83.062 -9.707 13.611 1.00 1.00 C ATOM 169 CD2 TYR X 11 83.739 -8.552 11.589 1.00 1.00 C ATOM 170 CE1 TYR X 11 83.971 -8.943 14.352 1.00 1.00 C ATOM 171 CE2 TYR X 11 84.649 -7.787 12.330 1.00 1.00 C ATOM 172 CZ TYR X 11 84.765 -7.983 13.712 1.00 1.00 C ATOM 173 OH TYR X 11 85.661 -7.230 14.443 1.00 1.00 O ATOM 0 H TYR X 11 80.021 -11.270 10.185 1.00 1.00 H new ATOM 0 HA TYR X 11 80.239 -9.744 12.575 1.00 1.00 H new ATOM 0 HB2 TYR X 11 81.946 -11.360 11.801 1.00 1.00 H new ATOM 0 HB3 TYR X 11 82.275 -10.379 10.386 1.00 1.00 H new ATOM 0 HD1 TYR X 11 82.450 -10.448 14.105 1.00 1.00 H new ATOM 0 HD2 TYR X 11 83.649 -8.402 10.523 1.00 1.00 H new ATOM 0 HE1 TYR X 11 84.060 -9.094 15.418 1.00 1.00 H new ATOM 0 HE2 TYR X 11 85.261 -7.047 11.836 1.00 1.00 H new ATOM 0 HH TYR X 11 86.133 -6.612 13.846 1.00 1.00 H new ATOM 183 N VAL X 12 80.790 -8.051 9.781 1.00 1.00 N ATOM 184 CA VAL X 12 80.852 -6.657 9.259 1.00 1.00 C ATOM 185 C VAL X 12 79.473 -6.009 9.382 1.00 1.00 C ATOM 186 O VAL X 12 79.351 -4.824 9.623 1.00 1.00 O ATOM 187 CB VAL X 12 81.272 -6.679 7.789 1.00 1.00 C ATOM 188 CG1 VAL X 12 82.693 -7.233 7.674 1.00 1.00 C ATOM 189 CG2 VAL X 12 80.312 -7.571 6.999 1.00 1.00 C ATOM 0 H VAL X 12 80.886 -8.783 9.078 1.00 1.00 H new ATOM 0 HA VAL X 12 81.579 -6.085 9.836 1.00 1.00 H new ATOM 0 HB VAL X 12 81.243 -5.666 7.387 1.00 1.00 H new ATOM 0 HG11 VAL X 12 82.994 -7.249 6.626 1.00 1.00 H new ATOM 0 HG12 VAL X 12 83.377 -6.599 8.238 1.00 1.00 H new ATOM 0 HG13 VAL X 12 82.722 -8.246 8.075 1.00 1.00 H new ATOM 0 HG21 VAL X 12 80.610 -7.588 5.951 1.00 1.00 H new ATOM 0 HG22 VAL X 12 80.342 -8.584 7.401 1.00 1.00 H new ATOM 0 HG23 VAL X 12 79.299 -7.178 7.082 1.00 1.00 H new ATOM 199 N GLU X 13 78.432 -6.777 9.219 1.00 1.00 N ATOM 200 CA GLU X 13 77.061 -6.209 9.335 1.00 1.00 C ATOM 201 C GLU X 13 76.881 -5.604 10.728 1.00 1.00 C ATOM 202 O GLU X 13 76.337 -4.528 10.882 1.00 1.00 O ATOM 203 CB GLU X 13 76.027 -7.315 9.121 1.00 1.00 C ATOM 204 CG GLU X 13 74.622 -6.713 9.153 1.00 1.00 C ATOM 205 CD GLU X 13 73.588 -7.812 8.904 1.00 1.00 C ATOM 206 OE1 GLU X 13 73.954 -8.974 8.989 1.00 1.00 O ATOM 207 OE2 GLU X 13 72.447 -7.476 8.633 1.00 1.00 O ATOM 0 H GLU X 13 78.472 -7.775 9.010 1.00 1.00 H new ATOM 0 HA GLU X 13 76.922 -5.436 8.579 1.00 1.00 H new ATOM 0 HB2 GLU X 13 76.200 -7.810 8.165 1.00 1.00 H new ATOM 0 HB3 GLU X 13 76.126 -8.075 9.896 1.00 1.00 H new ATOM 0 HG2 GLU X 13 74.440 -6.240 10.118 1.00 1.00 H new ATOM 0 HG3 GLU X 13 74.531 -5.935 8.395 1.00 1.00 H new ATOM 214 N GLN X 14 77.334 -6.284 11.747 1.00 1.00 N ATOM 215 CA GLN X 14 77.192 -5.734 13.123 1.00 1.00 C ATOM 216 C GLN X 14 78.041 -4.470 13.241 1.00 1.00 C ATOM 217 O GLN X 14 77.692 -3.540 13.940 1.00 1.00 O ATOM 218 CB GLN X 14 77.674 -6.771 14.140 1.00 1.00 C ATOM 219 CG GLN X 14 77.534 -6.204 15.555 1.00 1.00 C ATOM 220 CD GLN X 14 77.895 -7.283 16.576 1.00 1.00 C ATOM 221 OE1 GLN X 14 77.878 -8.458 16.269 1.00 1.00 O ATOM 222 NE2 GLN X 14 78.223 -6.933 17.790 1.00 1.00 N ATOM 0 H GLN X 14 77.794 -7.192 11.685 1.00 1.00 H new ATOM 0 HA GLN X 14 76.147 -5.497 13.320 1.00 1.00 H new ATOM 0 HB2 GLN X 14 77.091 -7.687 14.045 1.00 1.00 H new ATOM 0 HB3 GLN X 14 78.714 -7.033 13.943 1.00 1.00 H new ATOM 0 HG2 GLN X 14 78.187 -5.340 15.678 1.00 1.00 H new ATOM 0 HG3 GLN X 14 76.513 -5.859 15.720 1.00 1.00 H new ATOM 0 HE21 GLN X 14 78.238 -5.947 18.050 1.00 1.00 H new ATOM 0 HE22 GLN X 14 78.464 -7.646 18.479 1.00 1.00 H new ATOM 231 N LEU X 15 79.160 -4.434 12.573 1.00 1.00 N ATOM 232 CA LEU X 15 80.028 -3.228 12.650 1.00 1.00 C ATOM 233 C LEU X 15 79.265 -2.033 12.078 1.00 1.00 C ATOM 234 O LEU X 15 79.317 -0.939 12.604 1.00 1.00 O ATOM 235 CB LEU X 15 81.301 -3.461 11.835 1.00 1.00 C ATOM 236 CG LEU X 15 82.172 -2.205 11.878 1.00 1.00 C ATOM 237 CD1 LEU X 15 82.545 -1.893 13.328 1.00 1.00 C ATOM 238 CD2 LEU X 15 83.447 -2.442 11.064 1.00 1.00 C ATOM 0 H LEU X 15 79.510 -5.186 11.979 1.00 1.00 H new ATOM 0 HA LEU X 15 80.299 -3.032 13.687 1.00 1.00 H new ATOM 0 HB2 LEU X 15 81.852 -4.312 12.236 1.00 1.00 H new ATOM 0 HB3 LEU X 15 81.046 -3.704 10.804 1.00 1.00 H new ATOM 0 HG LEU X 15 81.621 -1.365 11.456 1.00 1.00 H new ATOM 0 HD11 LEU X 15 83.166 -0.998 13.359 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.638 -1.726 13.909 1.00 1.00 H new ATOM 0 HD13 LEU X 15 83.097 -2.733 13.750 1.00 1.00 H new ATOM 0 HD21 LEU X 15 84.069 -1.547 11.094 1.00 1.00 H new ATOM 0 HD22 LEU X 15 83.998 -3.282 11.488 1.00 1.00 H new ATOM 0 HD23 LEU X 15 83.183 -2.666 10.031 1.00 1.00 H new ATOM 250 N LYS X 16 78.556 -2.239 11.000 1.00 1.00 N ATOM 251 CA LYS X 16 77.779 -1.124 10.390 1.00 1.00 C ATOM 252 C LYS X 16 76.751 -0.607 11.395 1.00 1.00 C ATOM 253 O LYS X 16 76.526 0.581 11.513 1.00 1.00 O ATOM 254 CB LYS X 16 77.060 -1.628 9.137 1.00 1.00 C ATOM 255 CG LYS X 16 76.256 -0.486 8.516 1.00 1.00 C ATOM 256 CD LYS X 16 75.598 -0.969 7.223 1.00 1.00 C ATOM 257 CE LYS X 16 74.807 0.178 6.591 1.00 1.00 C ATOM 258 NZ LYS X 16 74.174 -0.293 5.328 1.00 1.00 N ATOM 0 H LYS X 16 78.482 -3.134 10.516 1.00 1.00 H new ATOM 0 HA LYS X 16 78.458 -0.316 10.119 1.00 1.00 H new ATOM 0 HB2 LYS X 16 77.785 -2.010 8.418 1.00 1.00 H new ATOM 0 HB3 LYS X 16 76.398 -2.456 9.393 1.00 1.00 H new ATOM 0 HG2 LYS X 16 75.496 -0.140 9.216 1.00 1.00 H new ATOM 0 HG3 LYS X 16 76.909 0.362 8.309 1.00 1.00 H new ATOM 0 HD2 LYS X 16 76.358 -1.327 6.528 1.00 1.00 H new ATOM 0 HD3 LYS X 16 74.936 -1.809 7.432 1.00 1.00 H new ATOM 0 HE2 LYS X 16 74.043 0.532 7.283 1.00 1.00 H new ATOM 0 HE3 LYS X 16 75.468 1.021 6.387 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 73.751 0.516 4.829 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 74.895 -0.735 4.722 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 73.434 -0.989 5.549 1.00 1.00 H new ATOM 272 N GLN X 17 76.122 -1.491 12.122 1.00 1.00 N ATOM 273 CA GLN X 17 75.114 -1.042 13.122 1.00 1.00 C ATOM 274 C GLN X 17 75.776 -0.077 14.104 1.00 1.00 C ATOM 275 O GLN X 17 75.235 0.961 14.432 1.00 1.00 O ATOM 276 CB GLN X 17 74.572 -2.254 13.883 1.00 1.00 C ATOM 277 CG GLN X 17 73.785 -3.149 12.924 1.00 1.00 C ATOM 278 CD GLN X 17 73.303 -4.397 13.668 1.00 1.00 C ATOM 279 OE1 GLN X 17 73.450 -4.497 14.870 1.00 1.00 O ATOM 280 NE2 GLN X 17 72.729 -5.359 12.998 1.00 1.00 N ATOM 0 H GLN X 17 76.262 -2.500 12.066 1.00 1.00 H new ATOM 0 HA GLN X 17 74.292 -0.540 12.612 1.00 1.00 H new ATOM 0 HB2 GLN X 17 75.394 -2.814 14.328 1.00 1.00 H new ATOM 0 HB3 GLN X 17 73.930 -1.926 14.701 1.00 1.00 H new ATOM 0 HG2 GLN X 17 72.933 -2.604 12.517 1.00 1.00 H new ATOM 0 HG3 GLN X 17 74.412 -3.436 12.080 1.00 1.00 H new ATOM 0 HE21 GLN X 17 72.606 -5.275 11.989 1.00 1.00 H new ATOM 0 HE22 GLN X 17 72.404 -6.195 13.483 1.00 1.00 H new ATOM 289 N ALA X 18 76.946 -0.413 14.577 1.00 1.00 N ATOM 290 CA ALA X 18 77.651 0.489 15.530 1.00 1.00 C ATOM 291 C ALA X 18 78.022 1.790 14.818 1.00 1.00 C ATOM 292 O ALA X 18 77.924 2.865 15.378 1.00 1.00 O ATOM 293 CB ALA X 18 78.923 -0.196 16.035 1.00 1.00 C ATOM 0 H ALA X 18 77.443 -1.273 14.344 1.00 1.00 H new ATOM 0 HA ALA X 18 76.997 0.709 16.374 1.00 1.00 H new ATOM 0 HB1 ALA X 18 79.439 0.464 16.732 1.00 1.00 H new ATOM 0 HB2 ALA X 18 78.660 -1.125 16.541 1.00 1.00 H new ATOM 0 HB3 ALA X 18 79.577 -0.416 15.191 1.00 1.00 H new ATOM 299 N LEU X 19 78.446 1.703 13.588 1.00 1.00 N ATOM 300 CA LEU X 19 78.817 2.938 12.843 1.00 1.00 C ATOM 301 C LEU X 19 77.568 3.794 12.630 1.00 1.00 C ATOM 302 O LEU X 19 77.610 5.005 12.720 1.00 1.00 O ATOM 303 CB LEU X 19 79.413 2.558 11.486 1.00 1.00 C ATOM 304 CG LEU X 19 80.749 1.842 11.696 1.00 1.00 C ATOM 305 CD1 LEU X 19 81.260 1.307 10.357 1.00 1.00 C ATOM 306 CD2 LEU X 19 81.769 2.827 12.272 1.00 1.00 C ATOM 0 H LEU X 19 78.551 0.832 13.068 1.00 1.00 H new ATOM 0 HA LEU X 19 79.553 3.502 13.416 1.00 1.00 H new ATOM 0 HB2 LEU X 19 78.724 1.912 10.943 1.00 1.00 H new ATOM 0 HB3 LEU X 19 79.559 3.451 10.878 1.00 1.00 H new ATOM 0 HG LEU X 19 80.610 1.012 12.389 1.00 1.00 H new ATOM 0 HD11 LEU X 19 82.212 0.797 10.508 1.00 1.00 H new ATOM 0 HD12 LEU X 19 80.534 0.606 9.944 1.00 1.00 H new ATOM 0 HD13 LEU X 19 81.399 2.136 9.663 1.00 1.00 H new ATOM 0 HD21 LEU X 19 82.721 2.318 12.422 1.00 1.00 H new ATOM 0 HD22 LEU X 19 81.906 3.656 11.578 1.00 1.00 H new ATOM 0 HD23 LEU X 19 81.407 3.209 13.227 1.00 1.00 H new ATOM 318 N LYS X 20 76.454 3.174 12.351 1.00 1.00 N ATOM 319 CA LYS X 20 75.202 3.952 12.134 1.00 1.00 C ATOM 320 C LYS X 20 74.903 4.784 13.382 1.00 1.00 C ATOM 321 O LYS X 20 74.536 5.939 13.297 1.00 1.00 O ATOM 322 CB LYS X 20 74.044 2.989 11.871 1.00 1.00 C ATOM 323 CG LYS X 20 72.785 3.786 11.523 1.00 1.00 C ATOM 324 CD LYS X 20 71.645 2.824 11.186 1.00 1.00 C ATOM 325 CE LYS X 20 70.384 3.622 10.847 1.00 1.00 C ATOM 326 NZ LYS X 20 69.295 2.685 10.452 1.00 1.00 N ATOM 0 H LYS X 20 76.357 2.162 12.264 1.00 1.00 H new ATOM 0 HA LYS X 20 75.324 4.613 11.276 1.00 1.00 H new ATOM 0 HB2 LYS X 20 74.297 2.314 11.054 1.00 1.00 H new ATOM 0 HB3 LYS X 20 73.864 2.371 12.751 1.00 1.00 H new ATOM 0 HG2 LYS X 20 72.502 4.422 12.362 1.00 1.00 H new ATOM 0 HG3 LYS X 20 72.981 4.444 10.676 1.00 1.00 H new ATOM 0 HD2 LYS X 20 71.926 2.193 10.343 1.00 1.00 H new ATOM 0 HD3 LYS X 20 71.453 2.162 12.030 1.00 1.00 H new ATOM 0 HE2 LYS X 20 70.074 4.215 11.707 1.00 1.00 H new ATOM 0 HE3 LYS X 20 70.590 4.320 10.036 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 68.438 3.227 10.221 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 69.593 2.138 9.619 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 69.093 2.036 11.239 1.00 1.00 H new ATOM 340 N THR X 21 75.058 4.204 14.541 1.00 1.00 N ATOM 341 CA THR X 21 74.792 4.961 15.795 1.00 1.00 C ATOM 342 C THR X 21 75.770 6.133 15.895 1.00 1.00 C ATOM 343 O THR X 21 75.455 7.173 16.439 1.00 1.00 O ATOM 344 CB THR X 21 74.978 4.035 16.999 1.00 1.00 C ATOM 345 OG1 THR X 21 76.276 3.458 16.951 1.00 1.00 O ATOM 346 CG2 THR X 21 73.923 2.928 16.963 1.00 1.00 C ATOM 0 H THR X 21 75.358 3.238 14.673 1.00 1.00 H new ATOM 0 HA THR X 21 73.770 5.339 15.784 1.00 1.00 H new ATOM 0 HB THR X 21 74.867 4.607 17.920 1.00 1.00 H new ATOM 0 HG1 THR X 21 76.636 3.538 16.043 1.00 1.00 H new ATOM 0 HG21 THR X 21 74.057 2.270 17.821 1.00 1.00 H new ATOM 0 HG22 THR X 21 72.928 3.372 16.998 1.00 1.00 H new ATOM 0 HG23 THR X 21 74.031 2.352 16.044 1.00 1.00 H new ATOM 354 N ARG X 22 76.954 5.976 15.370 1.00 1.00 N ATOM 355 CA ARG X 22 77.947 7.085 15.430 1.00 1.00 C ATOM 356 C ARG X 22 77.519 8.194 14.468 1.00 1.00 C ATOM 357 O ARG X 22 77.980 9.316 14.555 1.00 1.00 O ATOM 358 CB ARG X 22 79.324 6.559 15.022 1.00 1.00 C ATOM 359 CG ARG X 22 79.861 5.636 16.117 1.00 1.00 C ATOM 360 CD ARG X 22 81.255 5.139 15.728 1.00 1.00 C ATOM 361 NE ARG X 22 81.780 4.242 16.796 1.00 1.00 N ATOM 362 CZ ARG X 22 83.062 4.007 16.881 1.00 1.00 C ATOM 363 NH1 ARG X 22 83.885 4.553 16.029 1.00 1.00 N ATOM 364 NH2 ARG X 22 83.520 3.224 17.819 1.00 1.00 N ATOM 0 H ARG X 22 77.276 5.129 14.903 1.00 1.00 H new ATOM 0 HA ARG X 22 77.997 7.479 16.445 1.00 1.00 H new ATOM 0 HB2 ARG X 22 79.254 6.019 14.078 1.00 1.00 H new ATOM 0 HB3 ARG X 22 80.011 7.391 14.863 1.00 1.00 H new ATOM 0 HG2 ARG X 22 79.905 6.169 17.067 1.00 1.00 H new ATOM 0 HG3 ARG X 22 79.188 4.790 16.257 1.00 1.00 H new ATOM 0 HD2 ARG X 22 81.210 4.604 14.779 1.00 1.00 H new ATOM 0 HD3 ARG X 22 81.928 5.985 15.586 1.00 1.00 H new ATOM 0 HE ARG X 22 81.138 3.811 17.461 1.00 1.00 H new ATOM 0 HH11 ARG X 22 83.528 5.165 15.295 1.00 1.00 H new ATOM 0 HH12 ARG X 22 84.886 4.368 16.097 1.00 1.00 H new ATOM 0 HH21 ARG X 22 82.877 2.796 18.485 1.00 1.00 H new ATOM 0 HH22 ARG X 22 84.521 3.040 17.886 1.00 1.00 H new ATOM 378 N GLY X 23 76.649 7.890 13.545 1.00 1.00 N ATOM 379 CA GLY X 23 76.203 8.928 12.575 1.00 1.00 C ATOM 380 C GLY X 23 76.676 8.545 11.172 1.00 1.00 C ATOM 381 O GLY X 23 77.219 9.353 10.446 1.00 1.00 O ATOM 0 H GLY X 23 76.228 6.969 13.421 1.00 1.00 H new ATOM 0 HA2 GLY X 23 75.117 9.017 12.593 1.00 1.00 H new ATOM 0 HA3 GLY X 23 76.607 9.901 12.855 1.00 1.00 H new ATOM 385 N VAL X 24 76.474 7.314 10.785 1.00 1.00 N ATOM 386 CA VAL X 24 76.908 6.877 9.428 1.00 1.00 C ATOM 387 C VAL X 24 75.690 6.415 8.629 1.00 1.00 C ATOM 388 O VAL X 24 74.890 5.629 9.097 1.00 1.00 O ATOM 389 CB VAL X 24 77.900 5.720 9.560 1.00 1.00 C ATOM 390 CG1 VAL X 24 78.204 5.149 8.173 1.00 1.00 C ATOM 391 CG2 VAL X 24 79.196 6.230 10.195 1.00 1.00 C ATOM 0 H VAL X 24 76.027 6.592 11.351 1.00 1.00 H new ATOM 0 HA VAL X 24 77.386 7.710 8.912 1.00 1.00 H new ATOM 0 HB VAL X 24 77.468 4.941 10.188 1.00 1.00 H new ATOM 0 HG11 VAL X 24 78.911 4.324 8.266 1.00 1.00 H new ATOM 0 HG12 VAL X 24 77.282 4.787 7.718 1.00 1.00 H new ATOM 0 HG13 VAL X 24 78.636 5.928 7.545 1.00 1.00 H new ATOM 0 HG21 VAL X 24 79.904 5.406 10.290 1.00 1.00 H new ATOM 0 HG22 VAL X 24 79.627 7.009 9.566 1.00 1.00 H new ATOM 0 HG23 VAL X 24 78.981 6.639 11.182 1.00 1.00 H new ATOM 401 N LYS X 25 75.538 6.899 7.426 1.00 1.00 N ATOM 402 CA LYS X 25 74.371 6.481 6.602 1.00 1.00 C ATOM 403 C LYS X 25 74.859 6.051 5.218 1.00 1.00 C ATOM 404 O LYS X 25 75.101 6.868 4.353 1.00 1.00 O ATOM 405 CB LYS X 25 73.403 7.658 6.459 1.00 1.00 C ATOM 406 CG LYS X 25 72.974 8.138 7.847 1.00 1.00 C ATOM 407 CD LYS X 25 72.032 7.110 8.476 1.00 1.00 C ATOM 408 CE LYS X 25 71.350 7.724 9.700 1.00 1.00 C ATOM 409 NZ LYS X 25 70.352 6.761 10.246 1.00 1.00 N ATOM 0 H LYS X 25 76.170 7.564 6.980 1.00 1.00 H new ATOM 0 HA LYS X 25 73.861 5.647 7.084 1.00 1.00 H new ATOM 0 HB2 LYS X 25 73.881 8.471 5.913 1.00 1.00 H new ATOM 0 HB3 LYS X 25 72.530 7.356 5.881 1.00 1.00 H new ATOM 0 HG2 LYS X 25 73.849 8.280 8.481 1.00 1.00 H new ATOM 0 HG3 LYS X 25 72.476 9.104 7.771 1.00 1.00 H new ATOM 0 HD2 LYS X 25 71.283 6.795 7.749 1.00 1.00 H new ATOM 0 HD3 LYS X 25 72.590 6.219 8.766 1.00 1.00 H new ATOM 0 HE2 LYS X 25 72.092 7.966 10.461 1.00 1.00 H new ATOM 0 HE3 LYS X 25 70.859 8.658 9.426 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 69.565 7.285 10.679 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 69.988 6.164 9.476 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 70.806 6.161 10.964 1.00 1.00 H new ATOM 423 N VAL X 26 75.010 4.771 5.006 1.00 1.00 N ATOM 424 CA VAL X 26 75.479 4.288 3.677 1.00 1.00 C ATOM 425 C VAL X 26 74.637 3.084 3.251 1.00 1.00 C ATOM 426 O VAL X 26 74.003 2.438 4.060 1.00 1.00 O ATOM 427 CB VAL X 26 76.950 3.876 3.774 1.00 1.00 C ATOM 428 CG1 VAL X 26 77.797 5.090 4.159 1.00 1.00 C ATOM 429 CG2 VAL X 26 77.102 2.788 4.839 1.00 1.00 C ATOM 0 H VAL X 26 74.829 4.041 5.695 1.00 1.00 H new ATOM 0 HA VAL X 26 75.375 5.085 2.940 1.00 1.00 H new ATOM 0 HB VAL X 26 77.285 3.493 2.810 1.00 1.00 H new ATOM 0 HG11 VAL X 26 78.844 4.796 4.228 1.00 1.00 H new ATOM 0 HG12 VAL X 26 77.687 5.866 3.401 1.00 1.00 H new ATOM 0 HG13 VAL X 26 77.464 5.475 5.123 1.00 1.00 H new ATOM 0 HG21 VAL X 26 78.149 2.492 4.910 1.00 1.00 H new ATOM 0 HG22 VAL X 26 76.767 3.172 5.802 1.00 1.00 H new ATOM 0 HG23 VAL X 26 76.499 1.923 4.564 1.00 1.00 H new ATOM 439 N LYS X 27 74.625 2.779 1.980 1.00 1.00 N ATOM 440 CA LYS X 27 73.819 1.623 1.499 1.00 1.00 C ATOM 441 C LYS X 27 74.515 0.319 1.888 1.00 1.00 C ATOM 442 O LYS X 27 75.726 0.225 1.882 1.00 1.00 O ATOM 443 CB LYS X 27 73.682 1.695 -0.023 1.00 1.00 C ATOM 444 CG LYS X 27 72.869 2.933 -0.407 1.00 1.00 C ATOM 445 CD LYS X 27 72.806 3.052 -1.931 1.00 1.00 C ATOM 446 CE LYS X 27 71.987 4.287 -2.313 1.00 1.00 C ATOM 447 NZ LYS X 27 72.014 4.463 -3.793 1.00 1.00 N ATOM 0 H LYS X 27 75.139 3.281 1.256 1.00 1.00 H new ATOM 0 HA LYS X 27 72.829 1.655 1.954 1.00 1.00 H new ATOM 0 HB2 LYS X 27 74.668 1.737 -0.485 1.00 1.00 H new ATOM 0 HB3 LYS X 27 73.193 0.796 -0.397 1.00 1.00 H new ATOM 0 HG2 LYS X 27 71.862 2.861 0.004 1.00 1.00 H new ATOM 0 HG3 LYS X 27 73.325 3.827 0.019 1.00 1.00 H new ATOM 0 HD2 LYS X 27 73.812 3.128 -2.342 1.00 1.00 H new ATOM 0 HD3 LYS X 27 72.354 2.157 -2.358 1.00 1.00 H new ATOM 0 HE2 LYS X 27 70.959 4.176 -1.968 1.00 1.00 H new ATOM 0 HE3 LYS X 27 72.394 5.172 -1.823 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 71.458 5.302 -4.053 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 72.997 4.587 -4.110 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 71.607 3.622 -4.250 1.00 1.00 H new ATOM 461 N TYR X 28 73.760 -0.691 2.225 1.00 1.00 N ATOM 462 CA TYR X 28 74.382 -1.989 2.603 1.00 1.00 C ATOM 463 C TYR X 28 75.172 -2.536 1.412 1.00 1.00 C ATOM 464 O TYR X 28 76.262 -3.051 1.560 1.00 1.00 O ATOM 465 CB TYR X 28 73.289 -2.986 2.995 1.00 1.00 C ATOM 466 CG TYR X 28 72.740 -2.626 4.355 1.00 1.00 C ATOM 467 CD1 TYR X 28 71.765 -1.629 4.475 1.00 1.00 C ATOM 468 CD2 TYR X 28 73.206 -3.290 5.496 1.00 1.00 C ATOM 469 CE1 TYR X 28 71.256 -1.295 5.736 1.00 1.00 C ATOM 470 CE2 TYR X 28 72.697 -2.957 6.757 1.00 1.00 C ATOM 471 CZ TYR X 28 71.722 -1.960 6.876 1.00 1.00 C ATOM 472 OH TYR X 28 71.220 -1.632 8.120 1.00 1.00 O ATOM 0 H TYR X 28 72.741 -0.672 2.255 1.00 1.00 H new ATOM 0 HA TYR X 28 75.053 -1.840 3.449 1.00 1.00 H new ATOM 0 HB2 TYR X 28 72.490 -2.975 2.254 1.00 1.00 H new ATOM 0 HB3 TYR X 28 73.694 -3.998 3.011 1.00 1.00 H new ATOM 0 HD1 TYR X 28 71.405 -1.117 3.595 1.00 1.00 H new ATOM 0 HD2 TYR X 28 73.958 -4.059 5.403 1.00 1.00 H new ATOM 0 HE1 TYR X 28 70.504 -0.525 5.829 1.00 1.00 H new ATOM 0 HE2 TYR X 28 73.056 -3.469 7.637 1.00 1.00 H new ATOM 0 HH TYR X 28 71.649 -2.188 8.803 1.00 1.00 H new ATOM 482 N ALA X 29 74.629 -2.427 0.230 1.00 1.00 N ATOM 483 CA ALA X 29 75.345 -2.938 -0.971 1.00 1.00 C ATOM 484 C ALA X 29 76.742 -2.321 -1.032 1.00 1.00 C ATOM 485 O ALA X 29 77.681 -2.930 -1.506 1.00 1.00 O ATOM 486 CB ALA X 29 74.565 -2.559 -2.232 1.00 1.00 C ATOM 0 H ALA X 29 73.719 -2.005 0.045 1.00 1.00 H new ATOM 0 HA ALA X 29 75.429 -4.023 -0.909 1.00 1.00 H new ATOM 0 HB1 ALA X 29 75.090 -2.933 -3.111 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.569 -2.999 -2.190 1.00 1.00 H new ATOM 0 HB3 ALA X 29 74.480 -1.474 -2.295 1.00 1.00 H new ATOM 492 N ASP X 30 76.888 -1.115 -0.556 1.00 1.00 N ATOM 493 CA ASP X 30 78.226 -0.459 -0.587 1.00 1.00 C ATOM 494 C ASP X 30 79.203 -1.254 0.280 1.00 1.00 C ATOM 495 O ASP X 30 80.354 -1.428 -0.064 1.00 1.00 O ATOM 496 CB ASP X 30 78.109 0.968 -0.047 1.00 1.00 C ATOM 497 CG ASP X 30 79.468 1.662 -0.141 1.00 1.00 C ATOM 498 OD1 ASP X 30 80.253 1.513 0.781 1.00 1.00 O ATOM 499 OD2 ASP X 30 79.702 2.330 -1.135 1.00 1.00 O ATOM 0 H ASP X 30 76.139 -0.556 -0.147 1.00 1.00 H new ATOM 0 HA ASP X 30 78.592 -0.429 -1.613 1.00 1.00 H new ATOM 0 HB2 ASP X 30 77.365 1.524 -0.617 1.00 1.00 H new ATOM 0 HB3 ASP X 30 77.769 0.950 0.988 1.00 1.00 H new ATOM 504 N LEU X 31 78.752 -1.740 1.404 1.00 1.00 N ATOM 505 CA LEU X 31 79.654 -2.526 2.291 1.00 1.00 C ATOM 506 C LEU X 31 80.119 -3.784 1.557 1.00 1.00 C ATOM 507 O LEU X 31 81.284 -4.129 1.571 1.00 1.00 O ATOM 508 CB LEU X 31 78.901 -2.924 3.562 1.00 1.00 C ATOM 509 CG LEU X 31 78.981 -1.788 4.582 1.00 1.00 C ATOM 510 CD1 LEU X 31 80.422 -1.643 5.074 1.00 1.00 C ATOM 511 CD2 LEU X 31 78.535 -0.481 3.921 1.00 1.00 C ATOM 0 H LEU X 31 77.798 -1.626 1.746 1.00 1.00 H new ATOM 0 HA LEU X 31 80.520 -1.920 2.558 1.00 1.00 H new ATOM 0 HB2 LEU X 31 77.859 -3.142 3.326 1.00 1.00 H new ATOM 0 HB3 LEU X 31 79.330 -3.834 3.981 1.00 1.00 H new ATOM 0 HG LEU X 31 78.330 -2.011 5.427 1.00 1.00 H new ATOM 0 HD11 LEU X 31 80.478 -0.833 5.801 1.00 1.00 H new ATOM 0 HD12 LEU X 31 80.742 -2.574 5.542 1.00 1.00 H new ATOM 0 HD13 LEU X 31 81.074 -1.419 4.230 1.00 1.00 H new ATOM 0 HD21 LEU X 31 78.591 0.331 4.646 1.00 1.00 H new ATOM 0 HD22 LEU X 31 79.188 -0.259 3.077 1.00 1.00 H new ATOM 0 HD23 LEU X 31 77.508 -0.583 3.569 1.00 1.00 H new ATOM 523 N LEU X 32 79.216 -4.474 0.915 1.00 1.00 N ATOM 524 CA LEU X 32 79.608 -5.705 0.172 1.00 1.00 C ATOM 525 C LEU X 32 80.576 -5.332 -0.953 1.00 1.00 C ATOM 526 O LEU X 32 81.564 -6.002 -1.181 1.00 1.00 O ATOM 527 CB LEU X 32 78.359 -6.359 -0.423 1.00 1.00 C ATOM 528 CG LEU X 32 77.452 -6.851 0.706 1.00 1.00 C ATOM 529 CD1 LEU X 32 76.130 -7.351 0.119 1.00 1.00 C ATOM 530 CD2 LEU X 32 78.143 -7.995 1.453 1.00 1.00 C ATOM 0 H LEU X 32 78.224 -4.239 0.873 1.00 1.00 H new ATOM 0 HA LEU X 32 80.094 -6.404 0.853 1.00 1.00 H new ATOM 0 HB2 LEU X 32 77.824 -5.644 -1.048 1.00 1.00 H new ATOM 0 HB3 LEU X 32 78.643 -7.193 -1.065 1.00 1.00 H new ATOM 0 HG LEU X 32 77.255 -6.031 1.397 1.00 1.00 H new ATOM 0 HD11 LEU X 32 75.484 -7.702 0.924 1.00 1.00 H new ATOM 0 HD12 LEU X 32 75.637 -6.537 -0.413 1.00 1.00 H new ATOM 0 HD13 LEU X 32 76.326 -8.171 -0.572 1.00 1.00 H new ATOM 0 HD21 LEU X 32 77.497 -8.346 2.258 1.00 1.00 H new ATOM 0 HD22 LEU X 32 78.340 -8.814 0.762 1.00 1.00 H new ATOM 0 HD23 LEU X 32 79.084 -7.640 1.872 1.00 1.00 H new ATOM 542 N LYS X 33 80.301 -4.269 -1.658 1.00 1.00 N ATOM 543 CA LYS X 33 81.210 -3.856 -2.763 1.00 1.00 C ATOM 544 C LYS X 33 82.568 -3.457 -2.183 1.00 1.00 C ATOM 545 O LYS X 33 83.604 -3.746 -2.748 1.00 1.00 O ATOM 546 CB LYS X 33 80.601 -2.665 -3.508 1.00 1.00 C ATOM 547 CG LYS X 33 79.346 -3.117 -4.256 1.00 1.00 C ATOM 548 CD LYS X 33 78.707 -1.916 -4.955 1.00 1.00 C ATOM 549 CE LYS X 33 77.477 -2.375 -5.740 1.00 1.00 C ATOM 550 NZ LYS X 33 76.884 -1.212 -6.460 1.00 1.00 N ATOM 0 H LYS X 33 79.488 -3.670 -1.517 1.00 1.00 H new ATOM 0 HA LYS X 33 81.341 -4.687 -3.456 1.00 1.00 H new ATOM 0 HB2 LYS X 33 80.351 -1.871 -2.804 1.00 1.00 H new ATOM 0 HB3 LYS X 33 81.326 -2.252 -4.209 1.00 1.00 H new ATOM 0 HG2 LYS X 33 79.602 -3.883 -4.988 1.00 1.00 H new ATOM 0 HG3 LYS X 33 78.637 -3.566 -3.560 1.00 1.00 H new ATOM 0 HD2 LYS X 33 78.422 -1.164 -4.220 1.00 1.00 H new ATOM 0 HD3 LYS X 33 79.426 -1.448 -5.627 1.00 1.00 H new ATOM 0 HE2 LYS X 33 77.756 -3.153 -6.451 1.00 1.00 H new ATOM 0 HE3 LYS X 33 76.742 -2.810 -5.063 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 75.966 -0.971 -6.034 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 77.524 -0.396 -6.388 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 76.747 -1.457 -7.461 1.00 1.00 H new ATOM 564 N PHE X 34 82.572 -2.796 -1.057 1.00 1.00 N ATOM 565 CA PHE X 34 83.863 -2.373 -0.446 1.00 1.00 C ATOM 566 C PHE X 34 84.733 -3.606 -0.192 1.00 1.00 C ATOM 567 O PHE X 34 85.893 -3.644 -0.554 1.00 1.00 O ATOM 568 CB PHE X 34 83.591 -1.660 0.880 1.00 1.00 C ATOM 569 CG PHE X 34 84.863 -1.604 1.693 1.00 1.00 C ATOM 570 CD1 PHE X 34 86.016 -1.027 1.148 1.00 1.00 C ATOM 571 CD2 PHE X 34 84.887 -2.128 2.990 1.00 1.00 C ATOM 572 CE1 PHE X 34 87.195 -0.974 1.901 1.00 1.00 C ATOM 573 CE2 PHE X 34 86.067 -2.076 3.743 1.00 1.00 C ATOM 574 CZ PHE X 34 87.220 -1.500 3.199 1.00 1.00 C ATOM 0 H PHE X 34 81.737 -2.531 -0.535 1.00 1.00 H new ATOM 0 HA PHE X 34 84.381 -1.694 -1.124 1.00 1.00 H new ATOM 0 HB2 PHE X 34 83.221 -0.652 0.694 1.00 1.00 H new ATOM 0 HB3 PHE X 34 82.815 -2.186 1.435 1.00 1.00 H new ATOM 0 HD1 PHE X 34 85.996 -0.623 0.147 1.00 1.00 H new ATOM 0 HD2 PHE X 34 83.997 -2.572 3.410 1.00 1.00 H new ATOM 0 HE1 PHE X 34 88.085 -0.528 1.481 1.00 1.00 H new ATOM 0 HE2 PHE X 34 86.087 -2.481 4.744 1.00 1.00 H new ATOM 0 HZ PHE X 34 88.130 -1.461 3.780 1.00 1.00 H new ATOM 584 N PHE X 35 84.184 -4.613 0.429 1.00 1.00 N ATOM 585 CA PHE X 35 84.984 -5.837 0.714 1.00 1.00 C ATOM 586 C PHE X 35 85.415 -6.481 -0.605 1.00 1.00 C ATOM 587 O PHE X 35 86.547 -6.891 -0.766 1.00 1.00 O ATOM 588 CB PHE X 35 84.133 -6.830 1.508 1.00 1.00 C ATOM 589 CG PHE X 35 83.854 -6.266 2.881 1.00 1.00 C ATOM 590 CD1 PHE X 35 84.912 -6.025 3.766 1.00 1.00 C ATOM 591 CD2 PHE X 35 82.539 -5.987 3.270 1.00 1.00 C ATOM 592 CE1 PHE X 35 84.654 -5.503 5.039 1.00 1.00 C ATOM 593 CE2 PHE X 35 82.281 -5.465 4.543 1.00 1.00 C ATOM 594 CZ PHE X 35 83.339 -5.222 5.428 1.00 1.00 C ATOM 0 H PHE X 35 83.217 -4.641 0.751 1.00 1.00 H new ATOM 0 HA PHE X 35 85.866 -5.567 1.295 1.00 1.00 H new ATOM 0 HB2 PHE X 35 83.196 -7.023 0.985 1.00 1.00 H new ATOM 0 HB3 PHE X 35 84.653 -7.784 1.593 1.00 1.00 H new ATOM 0 HD1 PHE X 35 85.927 -6.242 3.467 1.00 1.00 H new ATOM 0 HD2 PHE X 35 81.723 -6.174 2.588 1.00 1.00 H new ATOM 0 HE1 PHE X 35 85.470 -5.317 5.721 1.00 1.00 H new ATOM 0 HE2 PHE X 35 81.266 -5.250 4.843 1.00 1.00 H new ATOM 0 HZ PHE X 35 83.140 -4.818 6.410 1.00 1.00 H new ATOM 604 N ASP X 36 84.520 -6.576 -1.550 1.00 1.00 N ATOM 605 CA ASP X 36 84.882 -7.191 -2.857 1.00 1.00 C ATOM 606 C ASP X 36 86.012 -6.385 -3.498 1.00 1.00 C ATOM 607 O ASP X 36 86.904 -6.930 -4.117 1.00 1.00 O ATOM 608 CB ASP X 36 83.662 -7.186 -3.782 1.00 1.00 C ATOM 609 CG ASP X 36 84.008 -7.904 -5.088 1.00 1.00 C ATOM 610 OD1 ASP X 36 85.165 -8.245 -5.264 1.00 1.00 O ATOM 611 OD2 ASP X 36 83.108 -8.100 -5.889 1.00 1.00 O ATOM 0 H ASP X 36 83.555 -6.255 -1.473 1.00 1.00 H new ATOM 0 HA ASP X 36 85.210 -8.218 -2.698 1.00 1.00 H new ATOM 0 HB2 ASP X 36 82.821 -7.680 -3.295 1.00 1.00 H new ATOM 0 HB3 ASP X 36 83.353 -6.161 -3.989 1.00 1.00 H new ATOM 616 N PHE X 37 85.982 -5.088 -3.355 1.00 1.00 N ATOM 617 CA PHE X 37 87.057 -4.245 -3.947 1.00 1.00 C ATOM 618 C PHE X 37 88.403 -4.618 -3.321 1.00 1.00 C ATOM 619 O PHE X 37 89.389 -4.799 -4.007 1.00 1.00 O ATOM 620 CB PHE X 37 86.760 -2.769 -3.674 1.00 1.00 C ATOM 621 CG PHE X 37 87.808 -1.910 -4.340 1.00 1.00 C ATOM 622 CD1 PHE X 37 87.794 -1.740 -5.729 1.00 1.00 C ATOM 623 CD2 PHE X 37 88.794 -1.283 -3.568 1.00 1.00 C ATOM 624 CE1 PHE X 37 88.766 -0.944 -6.347 1.00 1.00 C ATOM 625 CE2 PHE X 37 89.765 -0.487 -4.185 1.00 1.00 C ATOM 626 CZ PHE X 37 89.752 -0.317 -5.574 1.00 1.00 C ATOM 0 H PHE X 37 85.257 -4.576 -2.852 1.00 1.00 H new ATOM 0 HA PHE X 37 87.097 -4.414 -5.023 1.00 1.00 H new ATOM 0 HB2 PHE X 37 85.770 -2.511 -4.051 1.00 1.00 H new ATOM 0 HB3 PHE X 37 86.751 -2.582 -2.600 1.00 1.00 H new ATOM 0 HD1 PHE X 37 87.033 -2.223 -6.324 1.00 1.00 H new ATOM 0 HD2 PHE X 37 88.805 -1.414 -2.496 1.00 1.00 H new ATOM 0 HE1 PHE X 37 88.756 -0.813 -7.419 1.00 1.00 H new ATOM 0 HE2 PHE X 37 90.525 -0.003 -3.589 1.00 1.00 H new ATOM 0 HZ PHE X 37 90.502 0.297 -6.050 1.00 1.00 H new ATOM 636 N VAL X 38 88.451 -4.732 -2.023 1.00 1.00 N ATOM 637 CA VAL X 38 89.732 -5.095 -1.353 1.00 1.00 C ATOM 638 C VAL X 38 90.201 -6.464 -1.852 1.00 1.00 C ATOM 639 O VAL X 38 91.362 -6.660 -2.154 1.00 1.00 O ATOM 640 CB VAL X 38 89.518 -5.150 0.159 1.00 1.00 C ATOM 641 CG1 VAL X 38 90.815 -5.590 0.842 1.00 1.00 C ATOM 642 CG2 VAL X 38 89.121 -3.763 0.669 1.00 1.00 C ATOM 0 H VAL X 38 87.659 -4.590 -1.397 1.00 1.00 H new ATOM 0 HA VAL X 38 90.488 -4.346 -1.587 1.00 1.00 H new ATOM 0 HB VAL X 38 88.726 -5.863 0.387 1.00 1.00 H new ATOM 0 HG11 VAL X 38 90.663 -5.629 1.921 1.00 1.00 H new ATOM 0 HG12 VAL X 38 91.100 -6.578 0.479 1.00 1.00 H new ATOM 0 HG13 VAL X 38 91.607 -4.877 0.613 1.00 1.00 H new ATOM 0 HG21 VAL X 38 88.968 -3.802 1.748 1.00 1.00 H new ATOM 0 HG22 VAL X 38 89.914 -3.051 0.440 1.00 1.00 H new ATOM 0 HG23 VAL X 38 88.198 -3.447 0.183 1.00 1.00 H new ATOM 652 N LYS X 39 89.309 -7.412 -1.944 1.00 1.00 N ATOM 653 CA LYS X 39 89.704 -8.760 -2.441 1.00 1.00 C ATOM 654 C LYS X 39 90.041 -8.672 -3.931 1.00 1.00 C ATOM 655 O LYS X 39 90.798 -9.465 -4.455 1.00 1.00 O ATOM 656 CB LYS X 39 88.546 -9.739 -2.237 1.00 1.00 C ATOM 657 CG LYS X 39 88.332 -9.972 -0.740 1.00 1.00 C ATOM 658 CD LYS X 39 87.195 -10.975 -0.536 1.00 1.00 C ATOM 659 CE LYS X 39 86.901 -11.117 0.959 1.00 1.00 C ATOM 660 NZ LYS X 39 85.779 -12.079 1.154 1.00 1.00 N ATOM 0 H LYS X 39 88.325 -7.311 -1.697 1.00 1.00 H new ATOM 0 HA LYS X 39 90.576 -9.111 -1.889 1.00 1.00 H new ATOM 0 HB2 LYS X 39 87.636 -9.342 -2.688 1.00 1.00 H new ATOM 0 HB3 LYS X 39 88.762 -10.684 -2.736 1.00 1.00 H new ATOM 0 HG2 LYS X 39 89.248 -10.348 -0.285 1.00 1.00 H new ATOM 0 HG3 LYS X 39 88.094 -9.030 -0.245 1.00 1.00 H new ATOM 0 HD2 LYS X 39 86.302 -10.640 -1.063 1.00 1.00 H new ATOM 0 HD3 LYS X 39 87.469 -11.942 -0.957 1.00 1.00 H new ATOM 0 HE2 LYS X 39 87.790 -11.467 1.484 1.00 1.00 H new ATOM 0 HE3 LYS X 39 86.641 -10.147 1.383 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 85.578 -12.177 2.170 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 84.931 -11.727 0.665 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 86.044 -13.006 0.763 1.00 1.00 H new ATOM 674 N ASP X 40 89.483 -7.712 -4.617 1.00 1.00 N ATOM 675 CA ASP X 40 89.774 -7.564 -6.070 1.00 1.00 C ATOM 676 C ASP X 40 91.187 -7.005 -6.258 1.00 1.00 C ATOM 677 O ASP X 40 91.775 -7.121 -7.315 1.00 1.00 O ATOM 678 CB ASP X 40 88.759 -6.606 -6.697 1.00 1.00 C ATOM 679 CG ASP X 40 87.385 -7.275 -6.739 1.00 1.00 C ATOM 680 OD1 ASP X 40 87.328 -8.480 -6.560 1.00 1.00 O ATOM 681 OD2 ASP X 40 86.411 -6.570 -6.951 1.00 1.00 O ATOM 0 H ASP X 40 88.837 -7.023 -4.232 1.00 1.00 H new ATOM 0 HA ASP X 40 89.704 -8.538 -6.554 1.00 1.00 H new ATOM 0 HB2 ASP X 40 88.709 -5.683 -6.119 1.00 1.00 H new ATOM 0 HB3 ASP X 40 89.074 -6.334 -7.704 1.00 1.00 H new ATOM 686 N THR X 41 91.737 -6.396 -5.242 1.00 1.00 N ATOM 687 CA THR X 41 93.090 -5.789 -5.383 1.00 1.00 C ATOM 688 C THR X 41 94.071 -6.846 -5.897 1.00 1.00 C ATOM 689 O THR X 41 94.905 -6.576 -6.738 1.00 1.00 O ATOM 690 CB THR X 41 93.563 -5.271 -4.023 1.00 1.00 C ATOM 691 OG1 THR X 41 92.517 -4.527 -3.412 1.00 1.00 O ATOM 692 CG2 THR X 41 94.787 -4.373 -4.213 1.00 1.00 C ATOM 0 H THR X 41 91.308 -6.293 -4.322 1.00 1.00 H new ATOM 0 HA THR X 41 93.045 -4.960 -6.090 1.00 1.00 H new ATOM 0 HB THR X 41 93.830 -6.114 -3.386 1.00 1.00 H new ATOM 0 HG1 THR X 41 91.980 -5.121 -2.847 1.00 1.00 H new ATOM 0 HG21 THR X 41 95.122 -4.005 -3.243 1.00 1.00 H new ATOM 0 HG22 THR X 41 95.588 -4.945 -4.681 1.00 1.00 H new ATOM 0 HG23 THR X 41 94.523 -3.529 -4.850 1.00 1.00 H new ATOM 700 N CYS X 42 93.979 -8.047 -5.395 1.00 1.00 N ATOM 701 CA CYS X 42 94.921 -9.114 -5.837 1.00 1.00 C ATOM 702 C CYS X 42 94.127 -10.348 -6.270 1.00 1.00 C ATOM 703 O CYS X 42 94.148 -10.736 -7.422 1.00 1.00 O ATOM 704 CB CYS X 42 95.850 -9.485 -4.679 1.00 1.00 C ATOM 705 SG CYS X 42 97.513 -8.849 -5.014 1.00 1.00 S ATOM 0 H CYS X 42 93.292 -8.335 -4.698 1.00 1.00 H new ATOM 0 HA CYS X 42 95.514 -8.751 -6.677 1.00 1.00 H new ATOM 0 HB2 CYS X 42 95.470 -9.068 -3.746 1.00 1.00 H new ATOM 0 HB3 CYS X 42 95.881 -10.568 -4.555 1.00 1.00 H new ATOM 0 HG CYS X 42 98.303 -9.161 -4.030 1.00 1.00 H new ATOM 711 N PRO X 43 93.433 -10.955 -5.349 1.00 1.00 N ATOM 712 CA PRO X 43 92.646 -12.193 -5.613 1.00 1.00 C ATOM 713 C PRO X 43 91.915 -12.138 -6.959 1.00 1.00 C ATOM 714 O PRO X 43 91.847 -13.113 -7.680 1.00 1.00 O ATOM 715 CB PRO X 43 91.644 -12.237 -4.459 1.00 1.00 C ATOM 716 CG PRO X 43 92.285 -11.472 -3.347 1.00 1.00 C ATOM 717 CD PRO X 43 93.323 -10.524 -3.946 1.00 1.00 C ATOM 0 HA PRO X 43 93.283 -13.076 -5.670 1.00 1.00 H new ATOM 0 HB2 PRO X 43 90.693 -11.789 -4.747 1.00 1.00 H new ATOM 0 HB3 PRO X 43 91.435 -13.264 -4.160 1.00 1.00 H new ATOM 0 HG2 PRO X 43 91.534 -10.910 -2.792 1.00 1.00 H new ATOM 0 HG3 PRO X 43 92.758 -12.155 -2.641 1.00 1.00 H new ATOM 0 HD2 PRO X 43 93.004 -9.484 -3.872 1.00 1.00 H new ATOM 0 HD3 PRO X 43 94.279 -10.601 -3.429 1.00 1.00 H new ATOM 725 N TRP X 44 91.368 -11.003 -7.301 1.00 1.00 N ATOM 726 CA TRP X 44 90.647 -10.883 -8.601 1.00 1.00 C ATOM 727 C TRP X 44 90.910 -9.503 -9.206 1.00 1.00 C ATOM 728 O TRP X 44 90.538 -8.489 -8.650 1.00 1.00 O ATOM 729 CB TRP X 44 89.145 -11.060 -8.366 1.00 1.00 C ATOM 730 CG TRP X 44 88.889 -12.417 -7.794 1.00 1.00 C ATOM 731 CD1 TRP X 44 89.225 -13.587 -8.385 1.00 1.00 C ATOM 732 CD2 TRP X 44 88.251 -12.765 -6.532 1.00 1.00 C ATOM 733 NE1 TRP X 44 88.833 -14.630 -7.566 1.00 1.00 N ATOM 734 CE2 TRP X 44 88.227 -14.173 -6.411 1.00 1.00 C ATOM 735 CE3 TRP X 44 87.695 -12.000 -5.490 1.00 1.00 C ATOM 736 CZ2 TRP X 44 87.672 -14.803 -5.297 1.00 1.00 C ATOM 737 CZ3 TRP X 44 87.134 -12.630 -4.367 1.00 1.00 C ATOM 738 CH2 TRP X 44 87.123 -14.028 -4.271 1.00 1.00 C ATOM 0 H TRP X 44 91.389 -10.154 -6.737 1.00 1.00 H new ATOM 0 HA TRP X 44 91.002 -11.652 -9.287 1.00 1.00 H new ATOM 0 HB2 TRP X 44 88.779 -10.291 -7.685 1.00 1.00 H new ATOM 0 HB3 TRP X 44 88.602 -10.940 -9.304 1.00 1.00 H new ATOM 0 HD1 TRP X 44 89.719 -13.689 -9.340 1.00 1.00 H new ATOM 0 HE1 TRP X 44 88.974 -15.616 -7.787 1.00 1.00 H new ATOM 0 HE3 TRP X 44 87.700 -10.922 -5.554 1.00 1.00 H new ATOM 0 HZ2 TRP X 44 87.666 -15.881 -5.228 1.00 1.00 H new ATOM 0 HZ3 TRP X 44 86.709 -12.034 -3.573 1.00 1.00 H new ATOM 0 HH2 TRP X 44 86.691 -14.507 -3.405 1.00 1.00 H new ATOM 749 N PHE X 45 91.549 -9.455 -10.342 1.00 1.00 N ATOM 750 CA PHE X 45 91.851 -8.142 -10.980 1.00 1.00 C ATOM 751 C PHE X 45 90.549 -7.463 -11.416 1.00 1.00 C ATOM 752 O PHE X 45 90.379 -6.272 -11.254 1.00 1.00 O ATOM 753 CB PHE X 45 92.742 -8.363 -12.205 1.00 1.00 C ATOM 754 CG PHE X 45 94.022 -7.578 -12.046 1.00 1.00 C ATOM 755 CD1 PHE X 45 94.872 -7.834 -10.964 1.00 1.00 C ATOM 756 CD2 PHE X 45 94.360 -6.593 -12.982 1.00 1.00 C ATOM 757 CE1 PHE X 45 96.058 -7.105 -10.817 1.00 1.00 C ATOM 758 CE2 PHE X 45 95.546 -5.864 -12.835 1.00 1.00 C ATOM 759 CZ PHE X 45 96.395 -6.121 -11.753 1.00 1.00 C ATOM 0 H PHE X 45 91.876 -10.272 -10.858 1.00 1.00 H new ATOM 0 HA PHE X 45 92.366 -7.505 -10.261 1.00 1.00 H new ATOM 0 HB2 PHE X 45 92.965 -9.424 -12.319 1.00 1.00 H new ATOM 0 HB3 PHE X 45 92.220 -8.049 -13.109 1.00 1.00 H new ATOM 0 HD1 PHE X 45 94.613 -8.594 -10.242 1.00 1.00 H new ATOM 0 HD2 PHE X 45 93.705 -6.396 -13.818 1.00 1.00 H new ATOM 0 HE1 PHE X 45 96.713 -7.302 -9.981 1.00 1.00 H new ATOM 0 HE2 PHE X 45 95.806 -5.103 -13.557 1.00 1.00 H new ATOM 0 HZ PHE X 45 97.311 -5.560 -11.640 1.00 1.00 H new ATOM 769 N PRO X 46 89.641 -8.219 -11.969 1.00 1.00 N ATOM 770 CA PRO X 46 88.327 -7.690 -12.441 1.00 1.00 C ATOM 771 C PRO X 46 87.504 -7.075 -11.304 1.00 1.00 C ATOM 772 O PRO X 46 87.435 -7.611 -10.216 1.00 1.00 O ATOM 773 CB PRO X 46 87.610 -8.917 -13.015 1.00 1.00 C ATOM 774 CG PRO X 46 88.677 -9.935 -13.255 1.00 1.00 C ATOM 775 CD PRO X 46 89.766 -9.663 -12.205 1.00 1.00 C ATOM 0 HA PRO X 46 88.460 -6.889 -13.168 1.00 1.00 H new ATOM 0 HB2 PRO X 46 86.860 -9.293 -12.319 1.00 1.00 H new ATOM 0 HB3 PRO X 46 87.090 -8.669 -13.941 1.00 1.00 H new ATOM 0 HG2 PRO X 46 88.282 -10.946 -13.154 1.00 1.00 H new ATOM 0 HG3 PRO X 46 89.078 -9.849 -14.265 1.00 1.00 H new ATOM 0 HD2 PRO X 46 89.601 -10.237 -11.293 1.00 1.00 H new ATOM 0 HD3 PRO X 46 90.757 -9.928 -12.573 1.00 1.00 H new ATOM 783 N GLN X 47 86.883 -5.954 -11.548 1.00 1.00 N ATOM 784 CA GLN X 47 86.072 -5.304 -10.479 1.00 1.00 C ATOM 785 C GLN X 47 84.606 -5.231 -10.917 1.00 1.00 C ATOM 786 O GLN X 47 84.304 -5.101 -12.086 1.00 1.00 O ATOM 787 CB GLN X 47 86.600 -3.890 -10.227 1.00 1.00 C ATOM 788 CG GLN X 47 87.951 -3.972 -9.515 1.00 1.00 C ATOM 789 CD GLN X 47 88.549 -2.569 -9.393 1.00 1.00 C ATOM 790 OE1 GLN X 47 87.916 -1.593 -9.744 1.00 1.00 O ATOM 791 NE2 GLN X 47 89.751 -2.425 -8.906 1.00 1.00 N ATOM 0 H GLN X 47 86.902 -5.460 -12.440 1.00 1.00 H new ATOM 0 HA GLN X 47 86.146 -5.890 -9.563 1.00 1.00 H new ATOM 0 HB2 GLN X 47 86.706 -3.356 -11.171 1.00 1.00 H new ATOM 0 HB3 GLN X 47 85.890 -3.328 -9.620 1.00 1.00 H new ATOM 0 HG2 GLN X 47 87.827 -4.413 -8.526 1.00 1.00 H new ATOM 0 HG3 GLN X 47 88.628 -4.621 -10.071 1.00 1.00 H new ATOM 0 HE21 GLN X 47 90.283 -3.244 -8.611 1.00 1.00 H new ATOM 0 HE22 GLN X 47 90.158 -1.494 -8.820 1.00 1.00 H new ATOM 800 N GLU X 48 83.694 -5.318 -9.987 1.00 1.00 N ATOM 801 CA GLU X 48 82.250 -5.259 -10.351 1.00 1.00 C ATOM 802 C GLU X 48 81.482 -4.456 -9.298 1.00 1.00 C ATOM 803 O GLU X 48 81.916 -4.317 -8.171 1.00 1.00 O ATOM 804 CB GLU X 48 81.681 -6.678 -10.420 1.00 1.00 C ATOM 805 CG GLU X 48 82.331 -7.432 -11.583 1.00 1.00 C ATOM 806 CD GLU X 48 81.739 -8.839 -11.673 1.00 1.00 C ATOM 807 OE1 GLU X 48 80.808 -9.118 -10.935 1.00 1.00 O ATOM 808 OE2 GLU X 48 82.228 -9.615 -12.477 1.00 1.00 O ATOM 0 H GLU X 48 83.887 -5.427 -8.991 1.00 1.00 H new ATOM 0 HA GLU X 48 82.146 -4.775 -11.322 1.00 1.00 H new ATOM 0 HB2 GLU X 48 81.868 -7.202 -9.483 1.00 1.00 H new ATOM 0 HB3 GLU X 48 80.600 -6.642 -10.555 1.00 1.00 H new ATOM 0 HG2 GLU X 48 82.164 -6.895 -12.517 1.00 1.00 H new ATOM 0 HG3 GLU X 48 83.410 -7.488 -11.436 1.00 1.00 H new ATOM 815 N GLY X 49 80.347 -3.920 -9.658 1.00 1.00 N ATOM 816 CA GLY X 49 79.553 -3.126 -8.678 1.00 1.00 C ATOM 817 C GLY X 49 79.988 -1.659 -8.725 1.00 1.00 C ATOM 818 O GLY X 49 81.030 -1.330 -9.257 1.00 1.00 O ATOM 0 H GLY X 49 79.936 -3.998 -10.588 1.00 1.00 H new ATOM 0 HA2 GLY X 49 78.490 -3.207 -8.906 1.00 1.00 H new ATOM 0 HA3 GLY X 49 79.694 -3.525 -7.673 1.00 1.00 H new ATOM 822 N THR X 50 79.202 -0.776 -8.174 1.00 1.00 N ATOM 823 CA THR X 50 79.581 0.665 -8.191 1.00 1.00 C ATOM 824 C THR X 50 79.837 1.138 -6.758 1.00 1.00 C ATOM 825 O THR X 50 79.033 0.928 -5.872 1.00 1.00 O ATOM 826 CB THR X 50 78.444 1.486 -8.804 1.00 1.00 C ATOM 827 OG1 THR X 50 78.310 1.153 -10.179 1.00 1.00 O ATOM 828 CG2 THR X 50 78.755 2.976 -8.666 1.00 1.00 C ATOM 0 H THR X 50 78.317 -0.989 -7.714 1.00 1.00 H new ATOM 0 HA THR X 50 80.484 0.797 -8.786 1.00 1.00 H new ATOM 0 HB THR X 50 77.513 1.263 -8.283 1.00 1.00 H new ATOM 0 HG1 THR X 50 77.581 1.677 -10.573 1.00 1.00 H new ATOM 0 HG21 THR X 50 77.944 3.559 -9.103 1.00 1.00 H new ATOM 0 HG22 THR X 50 78.857 3.230 -7.611 1.00 1.00 H new ATOM 0 HG23 THR X 50 79.686 3.203 -9.185 1.00 1.00 H new ATOM 836 N ILE X 51 80.950 1.777 -6.525 1.00 1.00 N ATOM 837 CA ILE X 51 81.257 2.262 -5.150 1.00 1.00 C ATOM 838 C ILE X 51 80.620 3.638 -4.940 1.00 1.00 C ATOM 839 O ILE X 51 80.682 4.500 -5.794 1.00 1.00 O ATOM 840 CB ILE X 51 82.773 2.369 -4.975 1.00 1.00 C ATOM 841 CG1 ILE X 51 83.262 1.242 -4.062 1.00 1.00 C ATOM 842 CG2 ILE X 51 83.121 3.719 -4.347 1.00 1.00 C ATOM 843 CD1 ILE X 51 82.978 1.607 -2.604 1.00 1.00 C ATOM 0 H ILE X 51 81.660 1.984 -7.227 1.00 1.00 H new ATOM 0 HA ILE X 51 80.855 1.561 -4.419 1.00 1.00 H new ATOM 0 HB ILE X 51 83.257 2.285 -5.948 1.00 1.00 H new ATOM 0 HG12 ILE X 51 82.761 0.309 -4.319 1.00 1.00 H new ATOM 0 HG13 ILE X 51 84.330 1.080 -4.206 1.00 1.00 H new ATOM 0 HG21 ILE X 51 84.201 3.795 -4.223 1.00 1.00 H new ATOM 0 HG22 ILE X 51 82.773 4.523 -4.996 1.00 1.00 H new ATOM 0 HG23 ILE X 51 82.637 3.803 -3.374 1.00 1.00 H new ATOM 0 HD11 ILE X 51 83.326 0.805 -1.954 1.00 1.00 H new ATOM 0 HD12 ILE X 51 83.499 2.530 -2.352 1.00 1.00 H new ATOM 0 HD13 ILE X 51 81.906 1.746 -2.466 1.00 1.00 H new ATOM 855 N ASP X 52 80.006 3.850 -3.808 1.00 1.00 N ATOM 856 CA ASP X 52 79.378 5.174 -3.533 1.00 1.00 C ATOM 857 C ASP X 52 80.448 6.169 -3.072 1.00 1.00 C ATOM 858 O ASP X 52 81.312 5.841 -2.285 1.00 1.00 O ATOM 859 CB ASP X 52 78.322 5.018 -2.437 1.00 1.00 C ATOM 860 CG ASP X 52 77.087 4.322 -3.011 1.00 1.00 C ATOM 861 OD1 ASP X 52 76.956 4.297 -4.225 1.00 1.00 O ATOM 862 OD2 ASP X 52 76.293 3.826 -2.229 1.00 1.00 O ATOM 0 H ASP X 52 79.912 3.162 -3.060 1.00 1.00 H new ATOM 0 HA ASP X 52 78.909 5.546 -4.444 1.00 1.00 H new ATOM 0 HB2 ASP X 52 78.727 4.438 -1.608 1.00 1.00 H new ATOM 0 HB3 ASP X 52 78.049 5.995 -2.039 1.00 1.00 H new ATOM 867 N ILE X 53 80.397 7.379 -3.556 1.00 1.00 N ATOM 868 CA ILE X 53 81.418 8.386 -3.149 1.00 1.00 C ATOM 869 C ILE X 53 81.338 8.610 -1.637 1.00 1.00 C ATOM 870 O ILE X 53 82.292 9.027 -1.011 1.00 1.00 O ATOM 871 CB ILE X 53 81.151 9.707 -3.874 1.00 1.00 C ATOM 872 CG1 ILE X 53 81.073 9.454 -5.382 1.00 1.00 C ATOM 873 CG2 ILE X 53 82.286 10.690 -3.583 1.00 1.00 C ATOM 874 CD1 ILE X 53 80.669 10.745 -6.096 1.00 1.00 C ATOM 0 H ILE X 53 79.694 7.714 -4.215 1.00 1.00 H new ATOM 0 HA ILE X 53 82.411 8.022 -3.412 1.00 1.00 H new ATOM 0 HB ILE X 53 80.208 10.127 -3.524 1.00 1.00 H new ATOM 0 HG12 ILE X 53 82.037 9.107 -5.754 1.00 1.00 H new ATOM 0 HG13 ILE X 53 80.348 8.667 -5.592 1.00 1.00 H new ATOM 0 HG21 ILE X 53 82.094 11.630 -4.100 1.00 1.00 H new ATOM 0 HG22 ILE X 53 82.344 10.871 -2.510 1.00 1.00 H new ATOM 0 HG23 ILE X 53 83.229 10.270 -3.932 1.00 1.00 H new ATOM 0 HD11 ILE X 53 80.613 10.565 -7.170 1.00 1.00 H new ATOM 0 HD12 ILE X 53 79.695 11.073 -5.732 1.00 1.00 H new ATOM 0 HD13 ILE X 53 81.410 11.519 -5.896 1.00 1.00 H new ATOM 886 N LYS X 54 80.208 8.336 -1.045 1.00 1.00 N ATOM 887 CA LYS X 54 80.074 8.526 0.427 1.00 1.00 C ATOM 888 C LYS X 54 81.012 7.560 1.152 1.00 1.00 C ATOM 889 O LYS X 54 81.628 7.901 2.141 1.00 1.00 O ATOM 890 CB LYS X 54 78.629 8.247 0.849 1.00 1.00 C ATOM 891 CG LYS X 54 77.706 9.303 0.238 1.00 1.00 C ATOM 892 CD LYS X 54 77.703 10.552 1.123 1.00 1.00 C ATOM 893 CE LYS X 54 76.726 11.580 0.550 1.00 1.00 C ATOM 894 NZ LYS X 54 76.824 12.847 1.330 1.00 1.00 N ATOM 0 H LYS X 54 79.373 7.989 -1.516 1.00 1.00 H new ATOM 0 HA LYS X 54 80.336 9.552 0.686 1.00 1.00 H new ATOM 0 HB2 LYS X 54 78.329 7.252 0.520 1.00 1.00 H new ATOM 0 HB3 LYS X 54 78.547 8.262 1.936 1.00 1.00 H new ATOM 0 HG2 LYS X 54 78.042 9.557 -0.767 1.00 1.00 H new ATOM 0 HG3 LYS X 54 76.695 8.908 0.145 1.00 1.00 H new ATOM 0 HD2 LYS X 54 77.415 10.289 2.141 1.00 1.00 H new ATOM 0 HD3 LYS X 54 78.706 10.977 1.175 1.00 1.00 H new ATOM 0 HE2 LYS X 54 76.953 11.768 -0.499 1.00 1.00 H new ATOM 0 HE3 LYS X 54 75.708 11.193 0.591 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 76.584 13.652 0.717 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 76.162 12.813 2.132 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 77.794 12.961 1.686 1.00 1.00 H new ATOM 908 N PHE X 55 81.129 6.353 0.665 1.00 1.00 N ATOM 909 CA PHE X 55 82.018 5.362 1.333 1.00 1.00 C ATOM 910 C PHE X 55 83.451 5.545 0.825 1.00 1.00 C ATOM 911 O PHE X 55 84.383 4.973 1.355 1.00 1.00 O ATOM 912 CB PHE X 55 81.535 3.945 1.014 1.00 1.00 C ATOM 913 CG PHE X 55 81.854 3.028 2.171 1.00 1.00 C ATOM 914 CD1 PHE X 55 83.138 2.487 2.302 1.00 1.00 C ATOM 915 CD2 PHE X 55 80.864 2.718 3.111 1.00 1.00 C ATOM 916 CE1 PHE X 55 83.432 1.635 3.373 1.00 1.00 C ATOM 917 CE2 PHE X 55 81.159 1.867 4.182 1.00 1.00 C ATOM 918 CZ PHE X 55 82.443 1.325 4.314 1.00 1.00 C ATOM 0 H PHE X 55 80.647 6.012 -0.167 1.00 1.00 H new ATOM 0 HA PHE X 55 81.992 5.516 2.412 1.00 1.00 H new ATOM 0 HB2 PHE X 55 80.461 3.950 0.826 1.00 1.00 H new ATOM 0 HB3 PHE X 55 82.016 3.582 0.106 1.00 1.00 H new ATOM 0 HD1 PHE X 55 83.902 2.727 1.577 1.00 1.00 H new ATOM 0 HD2 PHE X 55 79.873 3.135 3.010 1.00 1.00 H new ATOM 0 HE1 PHE X 55 84.423 1.217 3.473 1.00 1.00 H new ATOM 0 HE2 PHE X 55 80.395 1.628 4.907 1.00 1.00 H new ATOM 0 HZ PHE X 55 82.670 0.668 5.141 1.00 1.00 H new ATOM 928 N TRP X 56 83.636 6.336 -0.196 1.00 1.00 N ATOM 929 CA TRP X 56 85.010 6.536 -0.738 1.00 1.00 C ATOM 930 C TRP X 56 85.927 7.065 0.367 1.00 1.00 C ATOM 931 O TRP X 56 87.082 6.696 0.457 1.00 1.00 O ATOM 932 CB TRP X 56 84.962 7.544 -1.888 1.00 1.00 C ATOM 933 CG TRP X 56 86.349 7.997 -2.210 1.00 1.00 C ATOM 934 CD1 TRP X 56 87.447 7.207 -2.195 1.00 1.00 C ATOM 935 CD2 TRP X 56 86.806 9.326 -2.594 1.00 1.00 C ATOM 936 NE1 TRP X 56 88.549 7.966 -2.546 1.00 1.00 N ATOM 937 CE2 TRP X 56 88.205 9.278 -2.801 1.00 1.00 C ATOM 938 CE3 TRP X 56 86.149 10.554 -2.781 1.00 1.00 C ATOM 939 CZ2 TRP X 56 88.927 10.411 -3.181 1.00 1.00 C ATOM 940 CZ3 TRP X 56 86.872 11.697 -3.163 1.00 1.00 C ATOM 941 CH2 TRP X 56 88.258 11.625 -3.362 1.00 1.00 C ATOM 0 H TRP X 56 82.898 6.851 -0.677 1.00 1.00 H new ATOM 0 HA TRP X 56 85.397 5.585 -1.103 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.503 7.089 -2.766 1.00 1.00 H new ATOM 0 HB3 TRP X 56 84.344 8.398 -1.612 1.00 1.00 H new ATOM 0 HD1 TRP X 56 87.461 6.155 -1.949 1.00 1.00 H new ATOM 0 HE1 TRP X 56 89.499 7.601 -2.609 1.00 1.00 H new ATOM 0 HE3 TRP X 56 85.082 10.620 -2.630 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 89.994 10.350 -3.334 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 86.357 12.636 -3.304 1.00 1.00 H new ATOM 0 HH2 TRP X 56 88.808 12.507 -3.655 1.00 1.00 H new ATOM 952 N ARG X 57 85.425 7.928 1.207 1.00 1.00 N ATOM 953 CA ARG X 57 86.275 8.485 2.296 1.00 1.00 C ATOM 954 C ARG X 57 86.745 7.351 3.209 1.00 1.00 C ATOM 955 O ARG X 57 87.870 7.337 3.669 1.00 1.00 O ATOM 956 CB ARG X 57 85.465 9.495 3.110 1.00 1.00 C ATOM 957 CG ARG X 57 84.556 10.296 2.176 1.00 1.00 C ATOM 958 CD ARG X 57 85.399 10.944 1.076 1.00 1.00 C ATOM 959 NE ARG X 57 86.552 11.660 1.690 1.00 1.00 N ATOM 960 CZ ARG X 57 87.381 12.331 0.937 1.00 1.00 C ATOM 961 NH1 ARG X 57 87.197 12.378 -0.355 1.00 1.00 N ATOM 962 NH2 ARG X 57 88.392 12.955 1.475 1.00 1.00 N ATOM 0 H ARG X 57 84.465 8.271 1.186 1.00 1.00 H new ATOM 0 HA ARG X 57 87.142 8.982 1.861 1.00 1.00 H new ATOM 0 HB2 ARG X 57 84.867 8.977 3.860 1.00 1.00 H new ATOM 0 HB3 ARG X 57 86.136 10.167 3.646 1.00 1.00 H new ATOM 0 HG2 ARG X 57 83.803 9.642 1.735 1.00 1.00 H new ATOM 0 HG3 ARG X 57 84.023 11.062 2.739 1.00 1.00 H new ATOM 0 HD2 ARG X 57 85.757 10.184 0.382 1.00 1.00 H new ATOM 0 HD3 ARG X 57 84.790 11.640 0.499 1.00 1.00 H new ATOM 0 HE ARG X 57 86.694 11.626 2.700 1.00 1.00 H new ATOM 0 HH11 ARG X 57 86.406 11.891 -0.776 1.00 1.00 H new ATOM 0 HH12 ARG X 57 87.844 12.902 -0.944 1.00 1.00 H new ATOM 0 HH21 ARG X 57 88.535 12.919 2.484 1.00 1.00 H new ATOM 0 HH22 ARG X 57 89.040 13.479 0.886 1.00 1.00 H new ATOM 976 N ARG X 58 85.893 6.399 3.477 1.00 1.00 N ATOM 977 CA ARG X 58 86.295 5.267 4.357 1.00 1.00 C ATOM 978 C ARG X 58 87.308 4.386 3.622 1.00 1.00 C ATOM 979 O ARG X 58 88.235 3.866 4.211 1.00 1.00 O ATOM 980 CB ARG X 58 85.061 4.436 4.713 1.00 1.00 C ATOM 981 CG ARG X 58 84.173 5.228 5.675 1.00 1.00 C ATOM 982 CD ARG X 58 82.907 4.424 5.982 1.00 1.00 C ATOM 983 NE ARG X 58 83.275 3.181 6.717 1.00 1.00 N ATOM 984 CZ ARG X 58 82.341 2.385 7.162 1.00 1.00 C ATOM 985 NH1 ARG X 58 81.084 2.679 6.962 1.00 1.00 N ATOM 986 NH2 ARG X 58 82.663 1.298 7.806 1.00 1.00 N ATOM 0 H ARG X 58 84.937 6.357 3.124 1.00 1.00 H new ATOM 0 HA ARG X 58 86.746 5.657 5.269 1.00 1.00 H new ATOM 0 HB2 ARG X 58 84.505 4.186 3.810 1.00 1.00 H new ATOM 0 HB3 ARG X 58 85.363 3.495 5.172 1.00 1.00 H new ATOM 0 HG2 ARG X 58 84.715 5.439 6.597 1.00 1.00 H new ATOM 0 HG3 ARG X 58 83.908 6.189 5.234 1.00 1.00 H new ATOM 0 HD2 ARG X 58 82.219 5.022 6.579 1.00 1.00 H new ATOM 0 HD3 ARG X 58 82.390 4.172 5.056 1.00 1.00 H new ATOM 0 HE ARG X 58 84.257 2.952 6.872 1.00 1.00 H new ATOM 0 HH11 ARG X 58 80.833 3.530 6.459 1.00 1.00 H new ATOM 0 HH12 ARG X 58 80.353 2.058 7.309 1.00 1.00 H new ATOM 0 HH21 ARG X 58 83.645 1.070 7.962 1.00 1.00 H new ATOM 0 HH22 ARG X 58 81.933 0.676 8.154 1.00 1.00 H new ATOM 1000 N VAL X 59 87.138 4.214 2.339 1.00 1.00 N ATOM 1001 CA VAL X 59 88.086 3.361 1.570 1.00 1.00 C ATOM 1002 C VAL X 59 89.470 4.013 1.573 1.00 1.00 C ATOM 1003 O VAL X 59 90.478 3.355 1.733 1.00 1.00 O ATOM 1004 CB VAL X 59 87.591 3.216 0.130 1.00 1.00 C ATOM 1005 CG1 VAL X 59 88.652 2.501 -0.707 1.00 1.00 C ATOM 1006 CG2 VAL X 59 86.296 2.401 0.117 1.00 1.00 C ATOM 0 H VAL X 59 86.384 4.628 1.791 1.00 1.00 H new ATOM 0 HA VAL X 59 88.147 2.375 2.031 1.00 1.00 H new ATOM 0 HB VAL X 59 87.404 4.204 -0.291 1.00 1.00 H new ATOM 0 HG11 VAL X 59 88.298 2.398 -1.733 1.00 1.00 H new ATOM 0 HG12 VAL X 59 89.575 3.081 -0.698 1.00 1.00 H new ATOM 0 HG13 VAL X 59 88.841 1.513 -0.288 1.00 1.00 H new ATOM 0 HG21 VAL X 59 85.942 2.297 -0.909 1.00 1.00 H new ATOM 0 HG22 VAL X 59 86.483 1.413 0.538 1.00 1.00 H new ATOM 0 HG23 VAL X 59 85.539 2.912 0.712 1.00 1.00 H new ATOM 1016 N GLY X 60 89.526 5.305 1.394 1.00 1.00 N ATOM 1017 CA GLY X 60 90.845 6.000 1.377 1.00 1.00 C ATOM 1018 C GLY X 60 91.549 5.794 2.719 1.00 1.00 C ATOM 1019 O GLY X 60 92.707 5.433 2.774 1.00 1.00 O ATOM 0 H GLY X 60 88.715 5.909 1.259 1.00 1.00 H new ATOM 0 HA2 GLY X 60 91.462 5.611 0.567 1.00 1.00 H new ATOM 0 HA3 GLY X 60 90.705 7.064 1.188 1.00 1.00 H new ATOM 1023 N ASP X 61 90.858 6.021 3.803 1.00 1.00 N ATOM 1024 CA ASP X 61 91.490 5.837 5.140 1.00 1.00 C ATOM 1025 C ASP X 61 91.813 4.357 5.352 1.00 1.00 C ATOM 1026 O ASP X 61 92.849 4.007 5.882 1.00 1.00 O ATOM 1027 CB ASP X 61 90.525 6.310 6.229 1.00 1.00 C ATOM 1028 CG ASP X 61 91.168 6.113 7.602 1.00 1.00 C ATOM 1029 OD1 ASP X 61 92.237 5.526 7.656 1.00 1.00 O ATOM 1030 OD2 ASP X 61 90.582 6.552 8.578 1.00 1.00 O ATOM 0 H ASP X 61 89.885 6.325 3.820 1.00 1.00 H new ATOM 0 HA ASP X 61 92.410 6.420 5.191 1.00 1.00 H new ATOM 0 HB2 ASP X 61 90.278 7.361 6.079 1.00 1.00 H new ATOM 0 HB3 ASP X 61 89.591 5.751 6.170 1.00 1.00 H new ATOM 1035 N CYS X 62 90.935 3.484 4.941 1.00 1.00 N ATOM 1036 CA CYS X 62 91.190 2.028 5.127 1.00 1.00 C ATOM 1037 C CYS X 62 92.408 1.613 4.300 1.00 1.00 C ATOM 1038 O CYS X 62 93.353 1.045 4.812 1.00 1.00 O ATOM 1039 CB CYS X 62 89.966 1.234 4.664 1.00 1.00 C ATOM 1040 SG CYS X 62 88.557 1.621 5.732 1.00 1.00 S ATOM 0 H CYS X 62 90.053 3.716 4.485 1.00 1.00 H new ATOM 0 HA CYS X 62 91.380 1.824 6.181 1.00 1.00 H new ATOM 0 HB2 CYS X 62 89.730 1.480 3.629 1.00 1.00 H new ATOM 0 HB3 CYS X 62 90.178 0.165 4.697 1.00 1.00 H new ATOM 0 HG CYS X 62 88.017 2.740 5.350 1.00 1.00 H new ATOM 1046 N PHE X 63 92.397 1.893 3.025 1.00 1.00 N ATOM 1047 CA PHE X 63 93.554 1.510 2.168 1.00 1.00 C ATOM 1048 C PHE X 63 94.821 2.194 2.687 1.00 1.00 C ATOM 1049 O PHE X 63 95.868 1.586 2.790 1.00 1.00 O ATOM 1050 CB PHE X 63 93.289 1.949 0.727 1.00 1.00 C ATOM 1051 CG PHE X 63 92.637 0.818 -0.032 1.00 1.00 C ATOM 1052 CD1 PHE X 63 91.418 0.290 0.409 1.00 1.00 C ATOM 1053 CD2 PHE X 63 93.252 0.298 -1.177 1.00 1.00 C ATOM 1054 CE1 PHE X 63 90.814 -0.759 -0.296 1.00 1.00 C ATOM 1055 CE2 PHE X 63 92.649 -0.750 -1.882 1.00 1.00 C ATOM 1056 CZ PHE X 63 91.429 -1.279 -1.440 1.00 1.00 C ATOM 0 H PHE X 63 91.637 2.370 2.540 1.00 1.00 H new ATOM 0 HA PHE X 63 93.687 0.429 2.198 1.00 1.00 H new ATOM 0 HB2 PHE X 63 92.644 2.828 0.716 1.00 1.00 H new ATOM 0 HB3 PHE X 63 94.224 2.234 0.244 1.00 1.00 H new ATOM 0 HD1 PHE X 63 90.943 0.691 1.292 1.00 1.00 H new ATOM 0 HD2 PHE X 63 94.193 0.706 -1.517 1.00 1.00 H new ATOM 0 HE1 PHE X 63 89.873 -1.166 0.044 1.00 1.00 H new ATOM 0 HE2 PHE X 63 93.123 -1.151 -2.766 1.00 1.00 H new ATOM 0 HZ PHE X 63 90.963 -2.088 -1.983 1.00 1.00 H new ATOM 1066 N GLN X 64 94.735 3.455 3.013 1.00 1.00 N ATOM 1067 CA GLN X 64 95.931 4.173 3.534 1.00 1.00 C ATOM 1068 C GLN X 64 96.415 3.494 4.817 1.00 1.00 C ATOM 1069 O GLN X 64 97.600 3.380 5.061 1.00 1.00 O ATOM 1070 CB GLN X 64 95.562 5.627 3.837 1.00 1.00 C ATOM 1071 CG GLN X 64 96.822 6.406 4.217 1.00 1.00 C ATOM 1072 CD GLN X 64 96.469 7.881 4.423 1.00 1.00 C ATOM 1073 OE1 GLN X 64 95.619 8.207 5.227 1.00 1.00 O ATOM 1074 NE2 GLN X 64 97.091 8.791 3.725 1.00 1.00 N ATOM 0 H GLN X 64 93.888 4.018 2.941 1.00 1.00 H new ATOM 0 HA GLN X 64 96.724 4.147 2.786 1.00 1.00 H new ATOM 0 HB2 GLN X 64 95.089 6.082 2.967 1.00 1.00 H new ATOM 0 HB3 GLN X 64 94.838 5.667 4.651 1.00 1.00 H new ATOM 0 HG2 GLN X 64 97.256 5.994 5.128 1.00 1.00 H new ATOM 0 HG3 GLN X 64 97.573 6.307 3.434 1.00 1.00 H new ATOM 0 HE21 GLN X 64 97.805 8.517 3.050 1.00 1.00 H new ATOM 0 HE22 GLN X 64 96.864 9.777 3.854 1.00 1.00 H new ATOM 1083 N ASP X 65 95.509 3.040 5.638 1.00 1.00 N ATOM 1084 CA ASP X 65 95.921 2.360 6.897 1.00 1.00 C ATOM 1085 C ASP X 65 96.693 1.084 6.553 1.00 1.00 C ATOM 1086 O ASP X 65 97.688 0.763 7.170 1.00 1.00 O ATOM 1087 CB ASP X 65 94.678 2.002 7.714 1.00 1.00 C ATOM 1088 CG ASP X 65 94.269 3.199 8.575 1.00 1.00 C ATOM 1089 OD1 ASP X 65 94.957 4.205 8.519 1.00 1.00 O ATOM 1090 OD2 ASP X 65 93.276 3.090 9.274 1.00 1.00 O ATOM 0 H ASP X 65 94.502 3.111 5.491 1.00 1.00 H new ATOM 0 HA ASP X 65 96.557 3.025 7.481 1.00 1.00 H new ATOM 0 HB2 ASP X 65 93.861 1.723 7.049 1.00 1.00 H new ATOM 0 HB3 ASP X 65 94.882 1.138 8.347 1.00 1.00 H new ATOM 1095 N TYR X 66 96.238 0.354 5.572 1.00 1.00 N ATOM 1096 CA TYR X 66 96.941 -0.904 5.191 1.00 1.00 C ATOM 1097 C TYR X 66 98.322 -0.567 4.629 1.00 1.00 C ATOM 1098 O TYR X 66 99.290 -1.256 4.878 1.00 1.00 O ATOM 1099 CB TYR X 66 96.125 -1.644 4.129 1.00 1.00 C ATOM 1100 CG TYR X 66 94.994 -2.394 4.792 1.00 1.00 C ATOM 1101 CD1 TYR X 66 95.271 -3.498 5.607 1.00 1.00 C ATOM 1102 CD2 TYR X 66 93.670 -1.985 4.594 1.00 1.00 C ATOM 1103 CE1 TYR X 66 94.223 -4.194 6.222 1.00 1.00 C ATOM 1104 CE2 TYR X 66 92.623 -2.680 5.209 1.00 1.00 C ATOM 1105 CZ TYR X 66 92.900 -3.786 6.024 1.00 1.00 C ATOM 1106 OH TYR X 66 91.867 -4.472 6.630 1.00 1.00 O ATOM 0 H TYR X 66 95.410 0.574 5.018 1.00 1.00 H new ATOM 0 HA TYR X 66 97.052 -1.538 6.071 1.00 1.00 H new ATOM 0 HB2 TYR X 66 95.728 -0.936 3.402 1.00 1.00 H new ATOM 0 HB3 TYR X 66 96.764 -2.338 3.583 1.00 1.00 H new ATOM 0 HD1 TYR X 66 96.293 -3.813 5.761 1.00 1.00 H new ATOM 0 HD2 TYR X 66 93.457 -1.133 3.966 1.00 1.00 H new ATOM 0 HE1 TYR X 66 94.437 -5.047 6.850 1.00 1.00 H new ATOM 0 HE2 TYR X 66 91.602 -2.364 5.056 1.00 1.00 H new ATOM 0 HH TYR X 66 91.013 -4.057 6.389 1.00 1.00 H new ATOM 1116 N TYR X 67 98.422 0.491 3.871 1.00 1.00 N ATOM 1117 CA TYR X 67 99.742 0.873 3.297 1.00 1.00 C ATOM 1118 C TYR X 67 100.738 1.118 4.432 1.00 1.00 C ATOM 1119 O TYR X 67 101.817 0.562 4.455 1.00 1.00 O ATOM 1120 CB TYR X 67 99.588 2.150 2.469 1.00 1.00 C ATOM 1121 CG TYR X 67 100.912 2.873 2.410 1.00 1.00 C ATOM 1122 CD1 TYR X 67 101.959 2.354 1.639 1.00 1.00 C ATOM 1123 CD2 TYR X 67 101.092 4.063 3.126 1.00 1.00 C ATOM 1124 CE1 TYR X 67 103.186 3.026 1.584 1.00 1.00 C ATOM 1125 CE2 TYR X 67 102.320 4.734 3.071 1.00 1.00 C ATOM 1126 CZ TYR X 67 103.367 4.215 2.300 1.00 1.00 C ATOM 1127 OH TYR X 67 104.577 4.877 2.246 1.00 1.00 O ATOM 0 H TYR X 67 97.647 1.107 3.625 1.00 1.00 H new ATOM 0 HA TYR X 67 100.108 0.069 2.659 1.00 1.00 H new ATOM 0 HB2 TYR X 67 99.250 1.905 1.462 1.00 1.00 H new ATOM 0 HB3 TYR X 67 98.829 2.794 2.912 1.00 1.00 H new ATOM 0 HD1 TYR X 67 101.820 1.436 1.087 1.00 1.00 H new ATOM 0 HD2 TYR X 67 100.284 4.463 3.720 1.00 1.00 H new ATOM 0 HE1 TYR X 67 103.994 2.627 0.989 1.00 1.00 H new ATOM 0 HE2 TYR X 67 102.459 5.652 3.623 1.00 1.00 H new ATOM 0 HH TYR X 67 104.533 5.685 2.799 1.00 1.00 H new ATOM 1137 N ASN X 68 100.383 1.947 5.376 1.00 1.00 N ATOM 1138 CA ASN X 68 101.312 2.229 6.506 1.00 1.00 C ATOM 1139 C ASN X 68 101.466 0.969 7.360 1.00 1.00 C ATOM 1140 O ASN X 68 102.496 0.737 7.962 1.00 1.00 O ATOM 1141 CB ASN X 68 100.745 3.362 7.364 1.00 1.00 C ATOM 1142 CG ASN X 68 100.833 4.680 6.593 1.00 1.00 C ATOM 1143 OD1 ASN X 68 101.711 4.860 5.772 1.00 1.00 O ATOM 1144 ND2 ASN X 68 99.953 5.616 6.822 1.00 1.00 N ATOM 0 H ASN X 68 99.491 2.440 5.413 1.00 1.00 H new ATOM 0 HA ASN X 68 102.285 2.526 6.114 1.00 1.00 H new ATOM 0 HB2 ASN X 68 99.708 3.150 7.626 1.00 1.00 H new ATOM 0 HB3 ASN X 68 101.301 3.438 8.299 1.00 1.00 H new ATOM 0 HD21 ASN X 68 100.002 6.498 6.312 1.00 1.00 H new ATOM 0 HD22 ASN X 68 99.216 5.466 7.511 1.00 1.00 H new ATOM 1151 N THR X 69 100.450 0.151 7.415 1.00 1.00 N ATOM 1152 CA THR X 69 100.534 -1.085 8.243 1.00 1.00 C ATOM 1153 C THR X 69 101.660 -1.973 7.711 1.00 1.00 C ATOM 1154 O THR X 69 102.489 -2.454 8.458 1.00 1.00 O ATOM 1155 CB THR X 69 99.206 -1.843 8.166 1.00 1.00 C ATOM 1156 OG1 THR X 69 98.164 -1.022 8.676 1.00 1.00 O ATOM 1157 CG2 THR X 69 99.299 -3.125 8.994 1.00 1.00 C ATOM 0 H THR X 69 99.567 0.285 6.923 1.00 1.00 H new ATOM 0 HA THR X 69 100.738 -0.817 9.280 1.00 1.00 H new ATOM 0 HB THR X 69 98.993 -2.099 7.128 1.00 1.00 H new ATOM 0 HG1 THR X 69 98.184 -0.152 8.226 1.00 1.00 H new ATOM 0 HG21 THR X 69 98.353 -3.664 8.938 1.00 1.00 H new ATOM 0 HG22 THR X 69 100.098 -3.754 8.602 1.00 1.00 H new ATOM 0 HG23 THR X 69 99.512 -2.873 10.033 1.00 1.00 H new ATOM 1165 N PHE X 70 101.699 -2.193 6.425 1.00 1.00 N ATOM 1166 CA PHE X 70 102.766 -3.059 5.849 1.00 1.00 C ATOM 1167 C PHE X 70 103.447 -2.321 4.695 1.00 1.00 C ATOM 1168 O PHE X 70 104.655 -2.196 4.651 1.00 1.00 O ATOM 1169 CB PHE X 70 102.145 -4.356 5.329 1.00 1.00 C ATOM 1170 CG PHE X 70 102.959 -5.533 5.812 1.00 1.00 C ATOM 1171 CD1 PHE X 70 102.983 -5.855 7.174 1.00 1.00 C ATOM 1172 CD2 PHE X 70 103.690 -6.302 4.899 1.00 1.00 C ATOM 1173 CE1 PHE X 70 103.737 -6.946 7.623 1.00 1.00 C ATOM 1174 CE2 PHE X 70 104.444 -7.393 5.346 1.00 1.00 C ATOM 1175 CZ PHE X 70 104.468 -7.714 6.709 1.00 1.00 C ATOM 0 H PHE X 70 101.038 -1.810 5.749 1.00 1.00 H new ATOM 0 HA PHE X 70 103.502 -3.293 6.618 1.00 1.00 H new ATOM 0 HB2 PHE X 70 101.116 -4.444 5.678 1.00 1.00 H new ATOM 0 HB3 PHE X 70 102.113 -4.345 4.240 1.00 1.00 H new ATOM 0 HD1 PHE X 70 102.420 -5.262 7.879 1.00 1.00 H new ATOM 0 HD2 PHE X 70 103.672 -6.053 3.848 1.00 1.00 H new ATOM 0 HE1 PHE X 70 103.755 -7.195 8.674 1.00 1.00 H new ATOM 0 HE2 PHE X 70 105.007 -7.987 4.641 1.00 1.00 H new ATOM 0 HZ PHE X 70 105.051 -8.555 7.055 1.00 1.00 H new ATOM 1185 N GLY X 71 102.679 -1.830 3.761 1.00 1.00 N ATOM 1186 CA GLY X 71 103.280 -1.105 2.606 1.00 1.00 C ATOM 1187 C GLY X 71 102.392 -1.284 1.375 1.00 1.00 C ATOM 1188 O GLY X 71 101.264 -1.727 1.471 1.00 1.00 O ATOM 0 H GLY X 71 101.661 -1.900 3.748 1.00 1.00 H new ATOM 0 HA2 GLY X 71 103.384 -0.046 2.842 1.00 1.00 H new ATOM 0 HA3 GLY X 71 104.281 -1.486 2.404 1.00 1.00 H new ATOM 1192 N PRO X 72 102.904 -0.942 0.224 1.00 1.00 N ATOM 1193 CA PRO X 72 102.159 -1.057 -1.061 1.00 1.00 C ATOM 1194 C PRO X 72 101.746 -2.501 -1.354 1.00 1.00 C ATOM 1195 O PRO X 72 100.804 -2.752 -2.080 1.00 1.00 O ATOM 1196 CB PRO X 72 103.146 -0.553 -2.125 1.00 1.00 C ATOM 1197 CG PRO X 72 104.220 0.192 -1.394 1.00 1.00 C ATOM 1198 CD PRO X 72 104.252 -0.407 0.022 1.00 1.00 C ATOM 0 HA PRO X 72 101.232 -0.485 -1.038 1.00 1.00 H new ATOM 0 HB2 PRO X 72 103.567 -1.386 -2.688 1.00 1.00 H new ATOM 0 HB3 PRO X 72 102.644 0.096 -2.843 1.00 1.00 H new ATOM 0 HG2 PRO X 72 105.184 0.076 -1.890 1.00 1.00 H new ATOM 0 HG3 PRO X 72 104.004 1.260 -1.363 1.00 1.00 H new ATOM 0 HD2 PRO X 72 105.006 -1.190 0.105 1.00 1.00 H new ATOM 0 HD3 PRO X 72 104.495 0.350 0.768 1.00 1.00 H new ATOM 1206 N GLU X 73 102.439 -3.454 -0.793 1.00 1.00 N ATOM 1207 CA GLU X 73 102.079 -4.878 -1.038 1.00 1.00 C ATOM 1208 C GLU X 73 100.593 -5.081 -0.737 1.00 1.00 C ATOM 1209 O GLU X 73 99.852 -5.604 -1.544 1.00 1.00 O ATOM 1210 CB GLU X 73 102.914 -5.781 -0.127 1.00 1.00 C ATOM 1211 CG GLU X 73 104.396 -5.630 -0.475 1.00 1.00 C ATOM 1212 CD GLU X 73 104.653 -6.198 -1.871 1.00 1.00 C ATOM 1213 OE1 GLU X 73 103.834 -6.976 -2.334 1.00 1.00 O ATOM 1214 OE2 GLU X 73 105.666 -5.847 -2.455 1.00 1.00 O ATOM 0 H GLU X 73 103.238 -3.308 -0.176 1.00 1.00 H new ATOM 0 HA GLU X 73 102.279 -5.132 -2.079 1.00 1.00 H new ATOM 0 HB2 GLU X 73 102.746 -5.516 0.917 1.00 1.00 H new ATOM 0 HB3 GLU X 73 102.606 -6.820 -0.246 1.00 1.00 H new ATOM 0 HG2 GLU X 73 104.683 -4.579 -0.440 1.00 1.00 H new ATOM 0 HG3 GLU X 73 105.008 -6.153 0.260 1.00 1.00 H new ATOM 1221 N LYS X 74 100.154 -4.671 0.421 1.00 1.00 N ATOM 1222 CA LYS X 74 98.715 -4.834 0.773 1.00 1.00 C ATOM 1223 C LYS X 74 97.859 -4.034 -0.210 1.00 1.00 C ATOM 1224 O LYS X 74 96.833 -4.492 -0.670 1.00 1.00 O ATOM 1225 CB LYS X 74 98.476 -4.319 2.194 1.00 1.00 C ATOM 1226 CG LYS X 74 99.339 -5.113 3.177 1.00 1.00 C ATOM 1227 CD LYS X 74 98.885 -6.574 3.192 1.00 1.00 C ATOM 1228 CE LYS X 74 99.338 -7.234 4.496 1.00 1.00 C ATOM 1229 NZ LYS X 74 98.943 -8.671 4.487 1.00 1.00 N ATOM 0 H LYS X 74 100.729 -4.230 1.139 1.00 1.00 H new ATOM 0 HA LYS X 74 98.443 -5.888 0.719 1.00 1.00 H new ATOM 0 HB2 LYS X 74 98.720 -3.258 2.254 1.00 1.00 H new ATOM 0 HB3 LYS X 74 97.423 -4.419 2.456 1.00 1.00 H new ATOM 0 HG2 LYS X 74 100.388 -5.050 2.889 1.00 1.00 H new ATOM 0 HG3 LYS X 74 99.257 -4.686 4.176 1.00 1.00 H new ATOM 0 HD2 LYS X 74 97.800 -6.630 3.101 1.00 1.00 H new ATOM 0 HD3 LYS X 74 99.305 -7.105 2.338 1.00 1.00 H new ATOM 0 HE2 LYS X 74 100.419 -7.143 4.606 1.00 1.00 H new ATOM 0 HE3 LYS X 74 98.887 -6.727 5.349 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 99.250 -9.121 5.373 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 97.909 -8.746 4.401 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 99.393 -9.150 3.681 1.00 1.00 H new ATOM 1243 N VAL X 75 98.274 -2.840 -0.534 1.00 1.00 N ATOM 1244 CA VAL X 75 97.488 -2.012 -1.489 1.00 1.00 C ATOM 1245 C VAL X 75 98.444 -1.228 -2.392 1.00 1.00 C ATOM 1246 O VAL X 75 98.711 -0.066 -2.165 1.00 1.00 O ATOM 1247 CB VAL X 75 96.608 -1.034 -0.709 1.00 1.00 C ATOM 1248 CG1 VAL X 75 95.403 -1.779 -0.134 1.00 1.00 C ATOM 1249 CG2 VAL X 75 97.420 -0.420 0.435 1.00 1.00 C ATOM 0 H VAL X 75 99.124 -2.403 -0.178 1.00 1.00 H new ATOM 0 HA VAL X 75 96.860 -2.660 -2.100 1.00 1.00 H new ATOM 0 HB VAL X 75 96.263 -0.244 -1.376 1.00 1.00 H new ATOM 0 HG11 VAL X 75 94.776 -1.082 0.422 1.00 1.00 H new ATOM 0 HG12 VAL X 75 94.825 -2.218 -0.947 1.00 1.00 H new ATOM 0 HG13 VAL X 75 95.748 -2.569 0.534 1.00 1.00 H new ATOM 0 HG21 VAL X 75 96.794 0.277 0.992 1.00 1.00 H new ATOM 0 HG22 VAL X 75 97.765 -1.210 1.102 1.00 1.00 H new ATOM 0 HG23 VAL X 75 98.280 0.111 0.027 1.00 1.00 H new ATOM 1259 N PRO X 76 98.954 -1.869 -3.409 1.00 1.00 N ATOM 1260 CA PRO X 76 99.898 -1.237 -4.369 1.00 1.00 C ATOM 1261 C PRO X 76 99.284 -0.022 -5.073 1.00 1.00 C ATOM 1262 O PRO X 76 98.082 0.150 -5.097 1.00 1.00 O ATOM 1263 CB PRO X 76 100.184 -2.352 -5.373 1.00 1.00 C ATOM 1264 CG PRO X 76 99.820 -3.620 -4.670 1.00 1.00 C ATOM 1265 CD PRO X 76 98.680 -3.272 -3.754 1.00 1.00 C ATOM 0 HA PRO X 76 100.791 -0.856 -3.873 1.00 1.00 H new ATOM 0 HB2 PRO X 76 99.596 -2.223 -6.282 1.00 1.00 H new ATOM 0 HB3 PRO X 76 101.233 -2.354 -5.670 1.00 1.00 H new ATOM 0 HG2 PRO X 76 99.527 -4.391 -5.382 1.00 1.00 H new ATOM 0 HG3 PRO X 76 100.667 -4.012 -4.107 1.00 1.00 H new ATOM 0 HD2 PRO X 76 97.715 -3.386 -4.248 1.00 1.00 H new ATOM 0 HD3 PRO X 76 98.663 -3.910 -2.870 1.00 1.00 H new ATOM 1273 N VAL X 77 100.101 0.819 -5.646 1.00 1.00 N ATOM 1274 CA VAL X 77 99.564 2.018 -6.349 1.00 1.00 C ATOM 1275 C VAL X 77 98.457 1.589 -7.315 1.00 1.00 C ATOM 1276 O VAL X 77 97.759 2.408 -7.879 1.00 1.00 O ATOM 1277 CB VAL X 77 100.689 2.696 -7.134 1.00 1.00 C ATOM 1278 CG1 VAL X 77 100.105 3.808 -8.006 1.00 1.00 C ATOM 1279 CG2 VAL X 77 101.702 3.295 -6.157 1.00 1.00 C ATOM 0 H VAL X 77 101.117 0.728 -5.658 1.00 1.00 H new ATOM 0 HA VAL X 77 99.159 2.717 -5.617 1.00 1.00 H new ATOM 0 HB VAL X 77 101.184 1.960 -7.767 1.00 1.00 H new ATOM 0 HG11 VAL X 77 100.907 4.291 -8.565 1.00 1.00 H new ATOM 0 HG12 VAL X 77 99.382 3.383 -8.702 1.00 1.00 H new ATOM 0 HG13 VAL X 77 99.609 4.544 -7.373 1.00 1.00 H new ATOM 0 HG21 VAL X 77 102.504 3.778 -6.715 1.00 1.00 H new ATOM 0 HG22 VAL X 77 101.206 4.031 -5.524 1.00 1.00 H new ATOM 0 HG23 VAL X 77 102.119 2.503 -5.535 1.00 1.00 H new ATOM 1289 N THR X 78 98.294 0.309 -7.511 1.00 1.00 N ATOM 1290 CA THR X 78 97.229 -0.172 -8.438 1.00 1.00 C ATOM 1291 C THR X 78 95.865 0.299 -7.933 1.00 1.00 C ATOM 1292 O THR X 78 94.984 0.623 -8.704 1.00 1.00 O ATOM 1293 CB THR X 78 97.252 -1.702 -8.494 1.00 1.00 C ATOM 1294 OG1 THR X 78 97.035 -2.225 -7.191 1.00 1.00 O ATOM 1295 CG2 THR X 78 98.609 -2.176 -9.016 1.00 1.00 C ATOM 0 H THR X 78 98.851 -0.424 -7.071 1.00 1.00 H new ATOM 0 HA THR X 78 97.407 0.230 -9.436 1.00 1.00 H new ATOM 0 HB THR X 78 96.466 -2.053 -9.163 1.00 1.00 H new ATOM 0 HG1 THR X 78 97.048 -3.204 -7.225 1.00 1.00 H new ATOM 0 HG21 THR X 78 98.624 -3.265 -9.055 1.00 1.00 H new ATOM 0 HG22 THR X 78 98.775 -1.775 -10.016 1.00 1.00 H new ATOM 0 HG23 THR X 78 99.398 -1.826 -8.350 1.00 1.00 H new ATOM 1303 N ALA X 79 95.682 0.339 -6.641 1.00 1.00 N ATOM 1304 CA ALA X 79 94.374 0.787 -6.087 1.00 1.00 C ATOM 1305 C ALA X 79 94.088 2.217 -6.551 1.00 1.00 C ATOM 1306 O ALA X 79 92.983 2.547 -6.934 1.00 1.00 O ATOM 1307 CB ALA X 79 94.427 0.749 -4.558 1.00 1.00 C ATOM 0 H ALA X 79 96.382 0.081 -5.946 1.00 1.00 H new ATOM 0 HA ALA X 79 93.584 0.124 -6.440 1.00 1.00 H new ATOM 0 HB1 ALA X 79 93.470 1.077 -4.152 1.00 1.00 H new ATOM 0 HB2 ALA X 79 94.632 -0.269 -4.226 1.00 1.00 H new ATOM 0 HB3 ALA X 79 95.217 1.412 -4.205 1.00 1.00 H new ATOM 1313 N PHE X 80 95.076 3.069 -6.519 1.00 1.00 N ATOM 1314 CA PHE X 80 94.861 4.477 -6.954 1.00 1.00 C ATOM 1315 C PHE X 80 94.532 4.503 -8.447 1.00 1.00 C ATOM 1316 O PHE X 80 93.650 5.214 -8.888 1.00 1.00 O ATOM 1317 CB PHE X 80 96.131 5.289 -6.698 1.00 1.00 C ATOM 1318 CG PHE X 80 96.324 5.465 -5.211 1.00 1.00 C ATOM 1319 CD1 PHE X 80 96.817 4.406 -4.440 1.00 1.00 C ATOM 1320 CD2 PHE X 80 96.011 6.686 -4.604 1.00 1.00 C ATOM 1321 CE1 PHE X 80 96.994 4.568 -3.061 1.00 1.00 C ATOM 1322 CE2 PHE X 80 96.188 6.849 -3.225 1.00 1.00 C ATOM 1323 CZ PHE X 80 96.681 5.789 -2.453 1.00 1.00 C ATOM 0 H PHE X 80 96.023 2.850 -6.210 1.00 1.00 H new ATOM 0 HA PHE X 80 94.034 4.910 -6.391 1.00 1.00 H new ATOM 0 HB2 PHE X 80 96.993 4.781 -7.130 1.00 1.00 H new ATOM 0 HB3 PHE X 80 96.058 6.262 -7.184 1.00 1.00 H new ATOM 0 HD1 PHE X 80 97.061 3.464 -4.909 1.00 1.00 H new ATOM 0 HD2 PHE X 80 95.633 7.503 -5.200 1.00 1.00 H new ATOM 0 HE1 PHE X 80 97.372 3.750 -2.466 1.00 1.00 H new ATOM 0 HE2 PHE X 80 95.945 7.791 -2.757 1.00 1.00 H new ATOM 0 HZ PHE X 80 96.819 5.914 -1.389 1.00 1.00 H new ATOM 1333 N SER X 81 95.235 3.731 -9.232 1.00 1.00 N ATOM 1334 CA SER X 81 94.958 3.705 -10.696 1.00 1.00 C ATOM 1335 C SER X 81 93.537 3.191 -10.936 1.00 1.00 C ATOM 1336 O SER X 81 92.787 3.752 -11.709 1.00 1.00 O ATOM 1337 CB SER X 81 95.961 2.780 -11.387 1.00 1.00 C ATOM 1338 OG SER X 81 95.690 2.753 -12.782 1.00 1.00 O ATOM 0 H SER X 81 95.989 3.118 -8.922 1.00 1.00 H new ATOM 0 HA SER X 81 95.053 4.712 -11.103 1.00 1.00 H new ATOM 0 HB2 SER X 81 96.978 3.129 -11.209 1.00 1.00 H new ATOM 0 HB3 SER X 81 95.892 1.775 -10.972 1.00 1.00 H new ATOM 0 HG SER X 81 96.332 2.162 -13.229 1.00 1.00 H new ATOM 1344 N TYR X 82 93.160 2.129 -10.277 1.00 1.00 N ATOM 1345 CA TYR X 82 91.782 1.590 -10.458 1.00 1.00 C ATOM 1346 C TYR X 82 90.763 2.621 -9.970 1.00 1.00 C ATOM 1347 O TYR X 82 89.755 2.860 -10.604 1.00 1.00 O ATOM 1348 CB TYR X 82 91.631 0.296 -9.654 1.00 1.00 C ATOM 1349 CG TYR X 82 92.138 -0.871 -10.468 1.00 1.00 C ATOM 1350 CD1 TYR X 82 91.506 -1.215 -11.669 1.00 1.00 C ATOM 1351 CD2 TYR X 82 93.239 -1.610 -10.019 1.00 1.00 C ATOM 1352 CE1 TYR X 82 91.976 -2.298 -12.421 1.00 1.00 C ATOM 1353 CE2 TYR X 82 93.709 -2.692 -10.771 1.00 1.00 C ATOM 1354 CZ TYR X 82 93.078 -3.037 -11.972 1.00 1.00 C ATOM 1355 OH TYR X 82 93.541 -4.105 -12.713 1.00 1.00 O ATOM 0 H TYR X 82 93.746 1.612 -9.622 1.00 1.00 H new ATOM 0 HA TYR X 82 91.608 1.382 -11.514 1.00 1.00 H new ATOM 0 HB2 TYR X 82 92.188 0.370 -8.720 1.00 1.00 H new ATOM 0 HB3 TYR X 82 90.585 0.141 -9.390 1.00 1.00 H new ATOM 0 HD1 TYR X 82 90.656 -0.645 -12.015 1.00 1.00 H new ATOM 0 HD2 TYR X 82 93.726 -1.345 -9.092 1.00 1.00 H new ATOM 0 HE1 TYR X 82 91.489 -2.564 -13.348 1.00 1.00 H new ATOM 0 HE2 TYR X 82 94.559 -3.261 -10.425 1.00 1.00 H new ATOM 0 HH TYR X 82 94.017 -4.729 -12.126 1.00 1.00 H new ATOM 1365 N TRP X 83 91.017 3.236 -8.847 1.00 1.00 N ATOM 1366 CA TRP X 83 90.059 4.248 -8.320 1.00 1.00 C ATOM 1367 C TRP X 83 89.971 5.422 -9.298 1.00 1.00 C ATOM 1368 O TRP X 83 88.919 5.992 -9.505 1.00 1.00 O ATOM 1369 CB TRP X 83 90.547 4.753 -6.961 1.00 1.00 C ATOM 1370 CG TRP X 83 89.371 5.116 -6.112 1.00 1.00 C ATOM 1371 CD1 TRP X 83 88.837 6.355 -6.013 1.00 1.00 C ATOM 1372 CD2 TRP X 83 88.575 4.256 -5.245 1.00 1.00 C ATOM 1373 NE1 TRP X 83 87.765 6.311 -5.142 1.00 1.00 N ATOM 1374 CE2 TRP X 83 87.563 5.040 -4.642 1.00 1.00 C ATOM 1375 CE3 TRP X 83 88.633 2.888 -4.927 1.00 1.00 C ATOM 1376 CZ2 TRP X 83 86.641 4.485 -3.755 1.00 1.00 C ATOM 1377 CZ3 TRP X 83 87.706 2.326 -4.035 1.00 1.00 C ATOM 1378 CH2 TRP X 83 86.711 3.123 -3.449 1.00 1.00 C ATOM 0 H TRP X 83 91.846 3.081 -8.273 1.00 1.00 H new ATOM 0 HA TRP X 83 89.075 3.793 -8.206 1.00 1.00 H new ATOM 0 HB2 TRP X 83 91.142 3.984 -6.468 1.00 1.00 H new ATOM 0 HB3 TRP X 83 91.194 5.620 -7.094 1.00 1.00 H new ATOM 0 HD1 TRP X 83 89.191 7.235 -6.530 1.00 1.00 H new ATOM 0 HE1 TRP X 83 87.193 7.119 -4.898 1.00 1.00 H new ATOM 0 HE3 TRP X 83 89.395 2.265 -5.372 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 85.878 5.104 -3.307 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 87.759 1.274 -3.798 1.00 1.00 H new ATOM 0 HH2 TRP X 83 86.001 2.685 -2.763 1.00 1.00 H new ATOM 1389 N ASN X 84 91.069 5.782 -9.902 1.00 1.00 N ATOM 1390 CA ASN X 84 91.051 6.919 -10.864 1.00 1.00 C ATOM 1391 C ASN X 84 90.025 6.633 -11.963 1.00 1.00 C ATOM 1392 O ASN X 84 89.261 7.494 -12.354 1.00 1.00 O ATOM 1393 CB ASN X 84 92.438 7.085 -11.489 1.00 1.00 C ATOM 1394 CG ASN X 84 93.378 7.742 -10.477 1.00 1.00 C ATOM 1395 OD1 ASN X 84 94.536 7.970 -10.765 1.00 1.00 O ATOM 1396 ND2 ASN X 84 92.925 8.060 -9.296 1.00 1.00 N ATOM 0 H ASN X 84 91.978 5.338 -9.771 1.00 1.00 H new ATOM 0 HA ASN X 84 90.781 7.836 -10.340 1.00 1.00 H new ATOM 0 HB2 ASN X 84 92.832 6.114 -11.790 1.00 1.00 H new ATOM 0 HB3 ASN X 84 92.372 7.695 -12.390 1.00 1.00 H new ATOM 0 HD21 ASN X 84 93.543 8.500 -8.614 1.00 1.00 H new ATOM 0 HD22 ASN X 84 91.953 7.869 -9.054 1.00 1.00 H new ATOM 1403 N LEU X 85 90.003 5.428 -12.464 1.00 1.00 N ATOM 1404 CA LEU X 85 89.007 5.073 -13.514 1.00 1.00 C ATOM 1405 C LEU X 85 87.599 5.092 -12.914 1.00 1.00 C ATOM 1406 O LEU X 85 86.658 5.551 -13.529 1.00 1.00 O ATOM 1407 CB LEU X 85 89.312 3.675 -14.055 1.00 1.00 C ATOM 1408 CG LEU X 85 90.617 3.709 -14.852 1.00 1.00 C ATOM 1409 CD1 LEU X 85 91.033 2.283 -15.214 1.00 1.00 C ATOM 1410 CD2 LEU X 85 90.406 4.518 -16.133 1.00 1.00 C ATOM 0 H LEU X 85 90.633 4.673 -12.191 1.00 1.00 H new ATOM 0 HA LEU X 85 89.064 5.798 -14.326 1.00 1.00 H new ATOM 0 HB2 LEU X 85 89.395 2.965 -13.232 1.00 1.00 H new ATOM 0 HB3 LEU X 85 88.495 3.333 -14.690 1.00 1.00 H new ATOM 0 HG LEU X 85 91.399 4.172 -14.250 1.00 1.00 H new ATOM 0 HD11 LEU X 85 91.963 2.308 -15.782 1.00 1.00 H new ATOM 0 HD12 LEU X 85 91.180 1.704 -14.302 1.00 1.00 H new ATOM 0 HD13 LEU X 85 90.253 1.818 -15.816 1.00 1.00 H new ATOM 0 HD21 LEU X 85 91.334 4.544 -16.704 1.00 1.00 H new ATOM 0 HD22 LEU X 85 89.624 4.052 -16.733 1.00 1.00 H new ATOM 0 HD23 LEU X 85 90.109 5.535 -15.876 1.00 1.00 H new ATOM 1422 N ILE X 86 87.449 4.598 -11.716 1.00 1.00 N ATOM 1423 CA ILE X 86 86.104 4.599 -11.073 1.00 1.00 C ATOM 1424 C ILE X 86 85.622 6.043 -10.914 1.00 1.00 C ATOM 1425 O ILE X 86 84.473 6.353 -11.158 1.00 1.00 O ATOM 1426 CB ILE X 86 86.196 3.940 -9.696 1.00 1.00 C ATOM 1427 CG1 ILE X 86 86.427 2.436 -9.866 1.00 1.00 C ATOM 1428 CG2 ILE X 86 84.891 4.170 -8.932 1.00 1.00 C ATOM 1429 CD1 ILE X 86 85.080 1.720 -9.979 1.00 1.00 C ATOM 0 H ILE X 86 88.199 4.194 -11.155 1.00 1.00 H new ATOM 0 HA ILE X 86 85.402 4.044 -11.695 1.00 1.00 H new ATOM 0 HB ILE X 86 87.025 4.376 -9.139 1.00 1.00 H new ATOM 0 HG12 ILE X 86 87.026 2.248 -10.757 1.00 1.00 H new ATOM 0 HG13 ILE X 86 86.988 2.046 -9.017 1.00 1.00 H new ATOM 0 HG21 ILE X 86 84.956 3.700 -7.951 1.00 1.00 H new ATOM 0 HG22 ILE X 86 84.724 5.240 -8.812 1.00 1.00 H new ATOM 0 HG23 ILE X 86 84.062 3.733 -9.489 1.00 1.00 H new ATOM 0 HD11 ILE X 86 85.246 0.650 -10.100 1.00 1.00 H new ATOM 0 HD12 ILE X 86 84.497 1.897 -9.075 1.00 1.00 H new ATOM 0 HD13 ILE X 86 84.536 2.103 -10.842 1.00 1.00 H new ATOM 1441 N LYS X 87 86.491 6.926 -10.506 1.00 1.00 N ATOM 1442 CA LYS X 87 86.078 8.345 -10.317 1.00 1.00 C ATOM 1443 C LYS X 87 85.534 8.899 -11.636 1.00 1.00 C ATOM 1444 O LYS X 87 84.528 9.579 -11.665 1.00 1.00 O ATOM 1445 CB LYS X 87 87.288 9.172 -9.875 1.00 1.00 C ATOM 1446 CG LYS X 87 86.839 10.597 -9.544 1.00 1.00 C ATOM 1447 CD LYS X 87 88.023 11.388 -8.985 1.00 1.00 C ATOM 1448 CE LYS X 87 87.553 12.784 -8.573 1.00 1.00 C ATOM 1449 NZ LYS X 87 88.691 13.532 -7.966 1.00 1.00 N ATOM 0 H LYS X 87 87.469 6.726 -10.295 1.00 1.00 H new ATOM 0 HA LYS X 87 85.302 8.400 -9.554 1.00 1.00 H new ATOM 0 HB2 LYS X 87 87.755 8.715 -9.003 1.00 1.00 H new ATOM 0 HB3 LYS X 87 88.038 9.190 -10.666 1.00 1.00 H new ATOM 0 HG2 LYS X 87 86.452 11.085 -10.439 1.00 1.00 H new ATOM 0 HG3 LYS X 87 86.027 10.574 -8.817 1.00 1.00 H new ATOM 0 HD2 LYS X 87 88.449 10.868 -8.127 1.00 1.00 H new ATOM 0 HD3 LYS X 87 88.810 11.464 -9.735 1.00 1.00 H new ATOM 0 HE2 LYS X 87 87.172 13.322 -9.441 1.00 1.00 H new ATOM 0 HE3 LYS X 87 86.732 12.707 -7.860 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 88.372 14.481 -7.686 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 89.035 13.021 -7.128 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 89.461 13.616 -8.660 1.00 1.00 H new ATOM 1463 N GLU X 88 86.191 8.611 -12.727 1.00 1.00 N ATOM 1464 CA GLU X 88 85.719 9.138 -14.039 1.00 1.00 C ATOM 1465 C GLU X 88 84.428 8.420 -14.439 1.00 1.00 C ATOM 1466 O GLU X 88 83.627 8.938 -15.193 1.00 1.00 O ATOM 1467 CB GLU X 88 86.791 8.893 -15.104 1.00 1.00 C ATOM 1468 CG GLU X 88 88.024 9.745 -14.794 1.00 1.00 C ATOM 1469 CD GLU X 88 89.125 9.436 -15.810 1.00 1.00 C ATOM 1470 OE1 GLU X 88 88.884 8.624 -16.687 1.00 1.00 O ATOM 1471 OE2 GLU X 88 90.192 10.017 -15.692 1.00 1.00 O ATOM 0 H GLU X 88 87.032 8.035 -12.766 1.00 1.00 H new ATOM 0 HA GLU X 88 85.530 10.208 -13.955 1.00 1.00 H new ATOM 0 HB2 GLU X 88 87.062 7.837 -15.126 1.00 1.00 H new ATOM 0 HB3 GLU X 88 86.402 9.143 -16.091 1.00 1.00 H new ATOM 0 HG2 GLU X 88 87.767 10.804 -14.831 1.00 1.00 H new ATOM 0 HG3 GLU X 88 88.378 9.538 -13.784 1.00 1.00 H new ATOM 1478 N LEU X 89 84.219 7.233 -13.940 1.00 1.00 N ATOM 1479 CA LEU X 89 82.990 6.476 -14.307 1.00 1.00 C ATOM 1480 C LEU X 89 81.807 7.006 -13.495 1.00 1.00 C ATOM 1481 O LEU X 89 80.757 7.302 -14.031 1.00 1.00 O ATOM 1482 CB LEU X 89 83.196 4.991 -14.001 1.00 1.00 C ATOM 1483 CG LEU X 89 83.482 4.236 -15.300 1.00 1.00 C ATOM 1484 CD1 LEU X 89 82.226 4.220 -16.171 1.00 1.00 C ATOM 1485 CD2 LEU X 89 84.616 4.933 -16.055 1.00 1.00 C ATOM 0 H LEU X 89 84.847 6.755 -13.294 1.00 1.00 H new ATOM 0 HA LEU X 89 82.787 6.602 -15.371 1.00 1.00 H new ATOM 0 HB2 LEU X 89 84.025 4.864 -13.304 1.00 1.00 H new ATOM 0 HB3 LEU X 89 82.308 4.582 -13.518 1.00 1.00 H new ATOM 0 HG LEU X 89 83.774 3.212 -15.067 1.00 1.00 H new ATOM 0 HD11 LEU X 89 82.432 3.682 -17.096 1.00 1.00 H new ATOM 0 HD12 LEU X 89 81.417 3.724 -15.634 1.00 1.00 H new ATOM 0 HD13 LEU X 89 81.932 5.243 -16.404 1.00 1.00 H new ATOM 0 HD21 LEU X 89 84.821 4.396 -16.981 1.00 1.00 H new ATOM 0 HD22 LEU X 89 84.323 5.957 -16.287 1.00 1.00 H new ATOM 0 HD23 LEU X 89 85.513 4.943 -15.436 1.00 1.00 H new ATOM 1497 N ILE X 90 81.969 7.128 -12.206 1.00 1.00 N ATOM 1498 CA ILE X 90 80.841 7.604 -11.357 1.00 1.00 C ATOM 1499 C ILE X 90 80.588 9.088 -11.632 1.00 1.00 C ATOM 1500 O ILE X 90 79.459 9.526 -11.740 1.00 1.00 O ATOM 1501 CB ILE X 90 81.199 7.413 -9.881 1.00 1.00 C ATOM 1502 CG1 ILE X 90 82.379 8.318 -9.522 1.00 1.00 C ATOM 1503 CG2 ILE X 90 81.585 5.953 -9.635 1.00 1.00 C ATOM 1504 CD1 ILE X 90 82.934 7.913 -8.155 1.00 1.00 C ATOM 0 H ILE X 90 82.832 6.919 -11.705 1.00 1.00 H new ATOM 0 HA ILE X 90 79.943 7.032 -11.591 1.00 1.00 H new ATOM 0 HB ILE X 90 80.340 7.672 -9.262 1.00 1.00 H new ATOM 0 HG12 ILE X 90 83.157 8.237 -10.281 1.00 1.00 H new ATOM 0 HG13 ILE X 90 82.059 9.360 -9.503 1.00 1.00 H new ATOM 0 HG21 ILE X 90 81.840 5.816 -8.584 1.00 1.00 H new ATOM 0 HG22 ILE X 90 80.746 5.307 -9.892 1.00 1.00 H new ATOM 0 HG23 ILE X 90 82.445 5.695 -10.254 1.00 1.00 H new ATOM 0 HD11 ILE X 90 83.775 8.557 -7.898 1.00 1.00 H new ATOM 0 HD12 ILE X 90 82.154 8.016 -7.401 1.00 1.00 H new ATOM 0 HD13 ILE X 90 83.269 6.876 -8.191 1.00 1.00 H new ATOM 1516 N ASP X 91 81.630 9.866 -11.747 1.00 1.00 N ATOM 1517 CA ASP X 91 81.448 11.324 -11.996 1.00 1.00 C ATOM 1518 C ASP X 91 80.863 11.534 -13.394 1.00 1.00 C ATOM 1519 O ASP X 91 80.468 12.624 -13.756 1.00 1.00 O ATOM 1520 CB ASP X 91 82.801 12.031 -11.897 1.00 1.00 C ATOM 1521 CG ASP X 91 83.623 11.743 -13.155 1.00 1.00 C ATOM 1522 OD1 ASP X 91 83.279 10.811 -13.862 1.00 1.00 O ATOM 1523 OD2 ASP X 91 84.582 12.460 -13.389 1.00 1.00 O ATOM 0 H ASP X 91 82.599 9.555 -11.679 1.00 1.00 H new ATOM 0 HA ASP X 91 80.767 11.737 -11.252 1.00 1.00 H new ATOM 0 HB2 ASP X 91 82.654 13.105 -11.784 1.00 1.00 H new ATOM 0 HB3 ASP X 91 83.338 11.688 -11.013 1.00 1.00 H new ATOM 1528 N LYS X 92 80.803 10.496 -14.184 1.00 1.00 N ATOM 1529 CA LYS X 92 80.238 10.635 -15.556 1.00 1.00 C ATOM 1530 C LYS X 92 78.769 11.054 -15.465 1.00 1.00 C ATOM 1531 O LYS X 92 78.333 11.971 -16.133 1.00 1.00 O ATOM 1532 CB LYS X 92 80.341 9.295 -16.287 1.00 1.00 C ATOM 1533 CG LYS X 92 79.870 9.461 -17.733 1.00 1.00 C ATOM 1534 CD LYS X 92 80.011 8.130 -18.472 1.00 1.00 C ATOM 1535 CE LYS X 92 79.564 8.304 -19.926 1.00 1.00 C ATOM 1536 NZ LYS X 92 79.689 7.003 -20.643 1.00 1.00 N ATOM 0 H LYS X 92 81.121 9.558 -13.938 1.00 1.00 H new ATOM 0 HA LYS X 92 80.798 11.393 -16.104 1.00 1.00 H new ATOM 0 HB2 LYS X 92 81.370 8.937 -16.268 1.00 1.00 H new ATOM 0 HB3 LYS X 92 79.734 8.545 -15.780 1.00 1.00 H new ATOM 0 HG2 LYS X 92 78.832 9.792 -17.753 1.00 1.00 H new ATOM 0 HG3 LYS X 92 80.459 10.230 -18.232 1.00 1.00 H new ATOM 0 HD2 LYS X 92 81.046 7.790 -18.437 1.00 1.00 H new ATOM 0 HD3 LYS X 92 79.407 7.365 -17.984 1.00 1.00 H new ATOM 0 HE2 LYS X 92 78.532 8.653 -19.961 1.00 1.00 H new ATOM 0 HE3 LYS X 92 80.174 9.062 -20.417 1.00 1.00 H new ATOM 0 HZ1 LYS X 92 79.386 7.120 -21.631 1.00 1.00 H new ATOM 0 HZ2 LYS X 92 80.680 6.688 -20.620 1.00 1.00 H new ATOM 0 HZ3 LYS X 92 79.089 6.292 -20.179 1.00 1.00 H new ATOM 1550 N LYS X 93 78.001 10.390 -14.645 1.00 1.00 N ATOM 1551 CA LYS X 93 76.561 10.752 -14.512 1.00 1.00 C ATOM 1552 C LYS X 93 76.293 11.264 -13.095 1.00 1.00 C ATOM 1553 O LYS X 93 76.585 10.602 -12.119 1.00 1.00 O ATOM 1554 CB LYS X 93 75.697 9.519 -14.782 1.00 1.00 C ATOM 1555 CG LYS X 93 74.218 9.901 -14.693 1.00 1.00 C ATOM 1556 CD LYS X 93 73.358 8.708 -15.113 1.00 1.00 C ATOM 1557 CE LYS X 93 71.880 9.100 -15.054 1.00 1.00 C ATOM 1558 NZ LYS X 93 71.482 9.324 -13.634 1.00 1.00 N ATOM 0 H LYS X 93 78.308 9.612 -14.061 1.00 1.00 H new ATOM 0 HA LYS X 93 76.314 11.532 -15.233 1.00 1.00 H new ATOM 0 HB2 LYS X 93 75.920 9.115 -15.769 1.00 1.00 H new ATOM 0 HB3 LYS X 93 75.925 8.737 -14.058 1.00 1.00 H new ATOM 0 HG2 LYS X 93 73.970 10.202 -13.675 1.00 1.00 H new ATOM 0 HG3 LYS X 93 74.013 10.756 -15.337 1.00 1.00 H new ATOM 0 HD2 LYS X 93 73.622 8.393 -16.123 1.00 1.00 H new ATOM 0 HD3 LYS X 93 73.547 7.860 -14.455 1.00 1.00 H new ATOM 0 HE2 LYS X 93 71.709 10.004 -15.638 1.00 1.00 H new ATOM 0 HE3 LYS X 93 71.266 8.315 -15.495 1.00 1.00 H new ATOM 0 HZ1 LYS X 93 70.445 9.305 -13.557 1.00 1.00 H new ATOM 0 HZ2 LYS X 93 71.888 8.575 -13.037 1.00 1.00 H new ATOM 0 HZ3 LYS X 93 71.836 10.249 -13.316 1.00 1.00 H new ATOM 1572 N GLU X 94 75.736 12.438 -12.974 1.00 1.00 N ATOM 1573 CA GLU X 94 75.448 12.993 -11.621 1.00 1.00 C ATOM 1574 C GLU X 94 74.295 12.215 -10.983 1.00 1.00 C ATOM 1575 O GLU X 94 73.230 12.086 -11.554 1.00 1.00 O ATOM 1576 CB GLU X 94 75.061 14.468 -11.747 1.00 1.00 C ATOM 1577 CG GLU X 94 76.239 15.259 -12.318 1.00 1.00 C ATOM 1578 CD GLU X 94 77.378 15.290 -11.298 1.00 1.00 C ATOM 1579 OE1 GLU X 94 77.108 15.054 -10.132 1.00 1.00 O ATOM 1580 OE2 GLU X 94 78.500 15.549 -11.699 1.00 1.00 O ATOM 0 H GLU X 94 75.468 13.037 -13.754 1.00 1.00 H new ATOM 0 HA GLU X 94 76.336 12.902 -10.995 1.00 1.00 H new ATOM 0 HB2 GLU X 94 74.191 14.572 -12.395 1.00 1.00 H new ATOM 0 HB3 GLU X 94 74.781 14.866 -10.772 1.00 1.00 H new ATOM 0 HG2 GLU X 94 76.581 14.802 -13.247 1.00 1.00 H new ATOM 0 HG3 GLU X 94 75.925 16.275 -12.559 1.00 1.00 H new ATOM 1587 N VAL X 95 74.498 11.695 -9.803 1.00 1.00 N ATOM 1588 CA VAL X 95 73.414 10.925 -9.130 1.00 1.00 C ATOM 1589 C VAL X 95 73.361 11.303 -7.648 1.00 1.00 C ATOM 1590 O VAL X 95 74.337 11.742 -7.075 1.00 1.00 O ATOM 1591 CB VAL X 95 73.697 9.428 -9.265 1.00 1.00 C ATOM 1592 CG1 VAL X 95 75.074 9.114 -8.676 1.00 1.00 C ATOM 1593 CG2 VAL X 95 72.627 8.639 -8.507 1.00 1.00 C ATOM 0 H VAL X 95 75.368 11.770 -9.276 1.00 1.00 H new ATOM 0 HA VAL X 95 72.457 11.159 -9.597 1.00 1.00 H new ATOM 0 HB VAL X 95 73.680 9.147 -10.318 1.00 1.00 H new ATOM 0 HG11 VAL X 95 75.276 8.047 -8.772 1.00 1.00 H new ATOM 0 HG12 VAL X 95 75.837 9.678 -9.213 1.00 1.00 H new ATOM 0 HG13 VAL X 95 75.091 9.393 -7.623 1.00 1.00 H new ATOM 0 HG21 VAL X 95 72.827 7.572 -8.602 1.00 1.00 H new ATOM 0 HG22 VAL X 95 72.646 8.920 -7.454 1.00 1.00 H new ATOM 0 HG23 VAL X 95 71.645 8.863 -8.925 1.00 1.00 H new ATOM 1603 N ASN X 96 72.226 11.136 -7.025 1.00 1.00 N ATOM 1604 CA ASN X 96 72.111 11.486 -5.581 1.00 1.00 C ATOM 1605 C ASN X 96 71.679 10.250 -4.787 1.00 1.00 C ATOM 1606 O ASN X 96 70.511 10.049 -4.522 1.00 1.00 O ATOM 1607 CB ASN X 96 71.071 12.594 -5.404 1.00 1.00 C ATOM 1608 CG ASN X 96 70.647 12.670 -3.937 1.00 1.00 C ATOM 1609 OD1 ASN X 96 69.544 12.299 -3.591 1.00 1.00 O ATOM 1610 ND2 ASN X 96 71.485 13.140 -3.053 1.00 1.00 N ATOM 0 H ASN X 96 71.374 10.773 -7.453 1.00 1.00 H new ATOM 0 HA ASN X 96 73.077 11.833 -5.215 1.00 1.00 H new ATOM 0 HB2 ASN X 96 71.486 13.550 -5.723 1.00 1.00 H new ATOM 0 HB3 ASN X 96 70.204 12.397 -6.034 1.00 1.00 H new ATOM 0 HD21 ASN X 96 71.213 13.196 -2.071 1.00 1.00 H new ATOM 0 HD22 ASN X 96 72.412 13.452 -3.344 1.00 1.00 H new ATOM 1617 N PRO X 97 72.623 9.430 -4.413 1.00 1.00 N ATOM 1618 CA PRO X 97 72.355 8.194 -3.625 1.00 1.00 C ATOM 1619 C PRO X 97 71.533 8.476 -2.363 1.00 1.00 C ATOM 1620 O PRO X 97 70.626 7.742 -2.024 1.00 1.00 O ATOM 1621 CB PRO X 97 73.750 7.694 -3.253 1.00 1.00 C ATOM 1622 CG PRO X 97 74.664 8.263 -4.289 1.00 1.00 C ATOM 1623 CD PRO X 97 74.056 9.594 -4.703 1.00 1.00 C ATOM 0 HA PRO X 97 71.769 7.471 -4.192 1.00 1.00 H new ATOM 0 HB2 PRO X 97 74.033 8.026 -2.254 1.00 1.00 H new ATOM 0 HB3 PRO X 97 73.789 6.605 -3.250 1.00 1.00 H new ATOM 0 HG2 PRO X 97 75.668 8.401 -3.889 1.00 1.00 H new ATOM 0 HG3 PRO X 97 74.751 7.592 -5.143 1.00 1.00 H new ATOM 0 HD2 PRO X 97 74.486 10.423 -4.140 1.00 1.00 H new ATOM 0 HD3 PRO X 97 74.229 9.802 -5.759 1.00 1.00 H new ATOM 1631 N GLN X 98 71.843 9.534 -1.665 1.00 1.00 N ATOM 1632 CA GLN X 98 71.080 9.861 -0.428 1.00 1.00 C ATOM 1633 C GLN X 98 70.951 11.380 -0.296 1.00 1.00 C ATOM 1634 O GLN X 98 70.033 11.983 -0.816 1.00 1.00 O ATOM 1635 CB GLN X 98 71.819 9.303 0.790 1.00 1.00 C ATOM 1636 CG GLN X 98 71.715 7.776 0.798 1.00 1.00 C ATOM 1637 CD GLN X 98 72.493 7.216 1.989 1.00 1.00 C ATOM 1638 OE1 GLN X 98 72.956 7.959 2.832 1.00 1.00 O ATOM 1639 NE2 GLN X 98 72.657 5.925 2.097 1.00 1.00 N ATOM 0 H GLN X 98 72.592 10.186 -1.898 1.00 1.00 H new ATOM 0 HA GLN X 98 70.087 9.416 -0.485 1.00 1.00 H new ATOM 0 HB2 GLN X 98 72.866 9.606 0.763 1.00 1.00 H new ATOM 0 HB3 GLN X 98 71.392 9.712 1.706 1.00 1.00 H new ATOM 0 HG2 GLN X 98 70.670 7.473 0.858 1.00 1.00 H new ATOM 0 HG3 GLN X 98 72.112 7.369 -0.132 1.00 1.00 H new ATOM 0 HE21 GLN X 98 72.269 5.301 1.390 1.00 1.00 H new ATOM 0 HE22 GLN X 98 73.173 5.541 2.888 1.00 1.00 H new ATOM 1648 N VAL X 99 71.865 12.004 0.395 1.00 1.00 N ATOM 1649 CA VAL X 99 71.798 13.484 0.558 1.00 1.00 C ATOM 1650 C VAL X 99 73.024 14.126 -0.095 1.00 1.00 C ATOM 1651 O VAL X 99 74.075 14.230 0.506 1.00 1.00 O ATOM 1652 CB VAL X 99 71.770 13.834 2.046 1.00 1.00 C ATOM 1653 CG1 VAL X 99 71.721 15.354 2.214 1.00 1.00 C ATOM 1654 CG2 VAL X 99 70.530 13.212 2.692 1.00 1.00 C ATOM 0 H VAL X 99 72.656 11.553 0.854 1.00 1.00 H new ATOM 0 HA VAL X 99 70.893 13.860 0.080 1.00 1.00 H new ATOM 0 HB VAL X 99 72.667 13.444 2.527 1.00 1.00 H new ATOM 0 HG11 VAL X 99 71.701 15.602 3.275 1.00 1.00 H new ATOM 0 HG12 VAL X 99 72.603 15.800 1.754 1.00 1.00 H new ATOM 0 HG13 VAL X 99 70.824 15.744 1.733 1.00 1.00 H new ATOM 0 HG21 VAL X 99 70.509 13.461 3.753 1.00 1.00 H new ATOM 0 HG22 VAL X 99 69.634 13.603 2.210 1.00 1.00 H new ATOM 0 HG23 VAL X 99 70.563 12.129 2.574 1.00 1.00 H new ATOM 1664 N MET X 100 72.898 14.556 -1.320 1.00 1.00 N ATOM 1665 CA MET X 100 74.059 15.190 -2.008 1.00 1.00 C ATOM 1666 C MET X 100 75.286 14.287 -1.875 1.00 1.00 C ATOM 1667 O MET X 100 76.061 14.505 -0.958 1.00 1.00 O ATOM 1668 CB MET X 100 74.352 16.548 -1.364 1.00 1.00 C ATOM 1669 CG MET X 100 75.504 17.226 -2.109 1.00 1.00 C ATOM 1670 SD MET X 100 75.769 18.882 -1.426 1.00 1.00 S ATOM 1671 CE MET X 100 74.842 19.796 -2.683 1.00 1.00 C ATOM 1672 OXT MET X 100 75.430 13.393 -2.693 1.00 1.00 O ATOM 0 H MET X 100 72.044 14.496 -1.874 1.00 1.00 H new ATOM 0 HA MET X 100 73.825 15.330 -3.063 1.00 1.00 H new ATOM 0 HB2 MET X 100 73.463 17.178 -1.396 1.00 1.00 H new ATOM 0 HB3 MET X 100 74.611 16.416 -0.313 1.00 1.00 H new ATOM 0 HG2 MET X 100 76.413 16.632 -2.014 1.00 1.00 H new ATOM 0 HG3 MET X 100 75.275 17.291 -3.173 1.00 1.00 H new ATOM 0 HE1 MET X 100 74.873 20.861 -2.455 1.00 1.00 H new ATOM 0 HE2 MET X 100 75.287 19.621 -3.662 1.00 1.00 H new ATOM 0 HE3 MET X 100 73.806 19.457 -2.690 1.00 1.00 H new TER 1682 MET X 100